ONS Challenge Solubility WebBook    ONS Challenge

About this WebBook
This site contains the solubility data for organic compounds in organic solvents. The data are from the Open Notebook Science Solubility Challenge, an ongoing solubility crowdsourcing competition for students in the US and UK. As part of the challenge we are soliciting solubility measurements for the competitors to perform, so if you don't find the measurement you're looking for, please request it, and we'll do the experiment for you. If you have students that would like to help perform the solubility experiments, please use this entry form or contact the organizer Dr. Jean-Claude Bradley (bradlejcATdrexel.edu). Closing date for the application is December 1, 2009.

*Before requesting a solubility measurement, check below to see if it has already been done. All requested experiments will be prioritized according to the availability/toxicity of the compounds involved.
Completed Solubility Measurements. Number of Solutes: 152
SoluteSolute Smiles
1-adamantylamineC1C2CC3CC1CC(C2)(C3)N
1-octadecylamineNCCCCCCCCCCCCCCCCCC
10-chloro-9-anthraldehydeO=Cc2c1c(cccc1)c(Cl)c3c2cccc3
2,2-diphenylacetaldehydec1ccccc1C(c1ccccc1)C(=O)
2,4,6-trimethoxybenzaldehydeO=Cc1c(OC)cc(OC)cc1OC
2,4-dimethylbenzaldehydeO=Cc1ccc(C)cc1C
2,6-dichlorobenzaldehydeO=Cc1c(Cl)cccc1Cl
2,6-dichlorophenylacetic acidClc1cccc(Cl)c1CC(=O)O
2-(1,3-benzodioxol-5-yl)acetic acidO=C(O)Cc1ccc2OCOc2c1
2-(4-hydroxyphenyl-azo)benzoic acidOc2ccc(N=Nc1ccccc1C(O)=O)cc2
2-chloro-5-nitrobenzaldehydeO=Cc1cc(ccc1Cl)[N+]([O-])=O
2-chloro-5-nitrobenzoic acidO=C(O)c1cc(ccc1Cl)[N+]([O-])=O
2-ethylbutyraldehydeO=CC(CC)CC
2-ethylhexanoic acidO=C(O)C(CC)CCCC
2-methoxy-1-naphthaldehydeO=Cc1c2c(ccc1OC)cccc2
2-methoxybenzoic acidO=C(O)c1ccccc1OC
2-methyl butyric acidO=C(O)C(C)CC
2-methylbenzoic acidO=C(O)c1ccccc1C
2-octenoic acidO=C(O)/C=C/CCCCC
2-oxopentanedioic acidO=C(O)C(=O)CCC(=O)O
2-phenylbutyric acidO=C(O)C(c1ccccc1)CC
2-phenylpropanalc1ccccc1C(C)C=O
3,4-(methylenedioxy)phenylacetic acidO=C(O)Cc1ccc2OCOc2c1
3,4-dimethylbenzaldehydeCc1ccc(cc1C)C=O
3,4-methy​lendioxyp​henylacet​ic acidO=C(O)Cc1ccc2OCOc2c1
3,5-dimethoxybenzaldehydeO=Cc1cc(OC)cc(OC)c1
3,5-dimethylbenzaldehydeCc1cc(C=O)cc(C)c1
3-mercaptopropionic acidC(CS)C(=O)O
4-(trifluoromethyl)benzaldehydec1cc(C=O)ccc1C(F)(F)F
4-acetamidobenzoic acidO=C(Nc1ccc(cc1)C(=O)O)C
4-bromophenylacetic acidBrc1ccc(cc1)CC(=O)O
4-chloro-3-nitrobenzoic acidO=[N+]([O-])c1cc(ccc1Cl)C(=O)O
4-chlorobenzaldehydeO=Cc1ccc(Cl)cc1
4-chlorophenylacetic acidClc1ccc(cc1)CC(=O)O
4-dimethylamino cinnamaldehydeO=CC=Cc1ccc(N(C)C)cc1
4-dimethylaminobenzaldehydeO=Cc1ccc(N(C)C)cc1
4-ethylbenzaldehydeCCc1ccc(C=O)cc1
4-fluorobenzoic acidO=C(O)c1ccc(F)cc1
4-hydroxy-3-methylbenzaldehydeO=Cc1ccc(O)c(c1)C
4-hydroxybenzaldehydeO=Cc1ccc(O)cc1
4-hydroxyphenylpyruvic acidc1cc(O)ccc1CC(=O)C(=O)O
4-methoxybenzoic acidCOc1ccc(cc1)C(O)=O
4-methoxyphenylacetic acidO=C(O)Cc1ccc(OC)cc1
4-methylbenzoic acidO=C(O)c1ccc(cc1)C
4-nitrobenzaldehydec1cc(C=O)ccc1[N+](=O)[O-]
4-nitrobenzoic acidO=[N+]([O-])c1ccc(C(=O)O)cc1
4-nitrophenylacetic acidc1cc(CC(=O)O)ccc1[N+](=O)[O-]
4-phenylbutyric acidO=C(O)CCCc1ccccc1
4-pyrenebutanoic acidO=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3
5-bromothiophene-2-carbaldehydeC1=C(SC(=C1)Br)C=O
5-methylfurfurylamineo1c(ccc1CN)C
6-aminocaproic acidC(CCC(=O)O)CCN
8-bromooctanoic acidBrCCCCCCCC(=O)O
9-fluorenoneO=C3c1ccccc1c2c3cccc2
B,B-dimethylacrylic acidO=C(O)\C=C(/C)C
D-glucoseO[C@H]1[C@H](O)[C@H](OC(O)[C@@H]1O)CO
D-mannitolO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO
N-Cbz-L-p​rolineO=C(O)[C@H]2N(C(=O)OCc1ccccc1)CCC2
UCExp216-3ACC(C)(C)NC(=O)C(c1ccc2OCOc2c1)N(Cc3ccc(C)o3)C(=O)CNC(=O)OC(C)(C)C
Ugi Product 216-4ACc1ccc(o1)CC(C(c2ccc(c(c2)OC)OC)C(=O)NC(C)(C)C)C(=O)CNC(=O)OC(C)(C)C
Ugi product 104C (UC)O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccc(OC)c(OC)c2)C(=O)NC(C)(C)C
Ugi product 108C (UC)O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NCc3ccccc3
Ugi product 109C(UC)O=C(CNC(=O)OC(C)(C)C)N(Cc1ccc(o1)C(F)(F)F)C(c2ccccc2)C(=O)NCc3ccccc3
Ugi product 148BCC(C)(C)NC(=O)C(N(CCCCCCC)C(=O)\C=C\C)c2cc3ccccc3c1ccccc12
Ugi product 150D(UC)CC(C)(C)NC(=O)C(N(Cc1ccccc1)C(=O)\C=C\C)c3cc4ccccc4c2ccccc23
Ugi product 171K (UC)CN(C)c1ccc(cc1)C(C(=O)NC(C)(C)C)N(C)C(=O)CCCc5ccc4ccc3cccc2ccc5c4c23
Ugi product 173B (UC)CC(C)(C)NC(=O)C(N(C)C(=O)CCCc4ccc3ccc2cccc1ccc4c3c12)c5ccc(C)cc5
Ugi product 173G (UC)COc1cc(cc(OC)c1)C(C(=O)NCCCC)N(Cc2ccccc2)C(=O)C#Cc3ccccc3
Ugi product 176C (UC)O=C(Cc1ccccc1)N(Cc2ccco2)C(c4cc5ccccc5c3ccccc34)C(=O)NCCCC
Ugi product 206B(UC)O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C
Ugi product 214C(UC)CC(C)(C)NC(=O)C(N(Cc1ccccc1)C(=O)\C=C\C)c3cc4ccccc4c2ccccc23
Ugi product 215F(UC)Clc5ccc(CC(=O)N(Cc1ccccc1)C(c3cc4ccccc4c2ccccc23)C(=O)NCCCC)cc5
Ugi product 62E (UC)CC(C)(C)NC(=O)C(c1ccc2OCOc2c1)N(Cc3ccc(C)o3)C(=O)CNC(=O)OC(C)(C)C
Ugi product 64C (UC)CC(C)(C)OC(=O)NCC(=O)N(Cc1ccc(C)o1)C(C(=O)NCc2ccccc2)c3ccc(OC)c(OC)c3
Ugi product 86B (UC)O=C(CNC(=O)OC(C)(C)C)N(Cc1ccc(C)o1)C(c2ccccc2)C(=O)NC(C)(C)C
acetanilideO=C(Nc1ccccc1)C
acetic acidO=C(O)C
acetylsalicylic acidO=C(Oc1ccccc1C(=O)O)C
anilineNc1ccccc1
apocyninOc1ccc(cc1OC)C(C)=O, solvent: 1-propanol, solventsmi
ascorbic acidO\C1=C(/O)C(=O)O[C@@H]1[C@@H](O)CO
azoxydibenzoic acidO=C(O)c2ccc([N+](/[O-])=N/c1ccc(cc1)C(=O)O)cc2
benzaldehydec1ccccc1C=O
benzoic acidc1ccccc1C(=O)O
benzotriazole-5-carboxylic acidO=C(O)c1ccc2nnnc2c1
benzylamineNCc1ccccc1
boc-glycineO=C(OC(C)(C)C)NCC(=O)O
boc-serineO=C(OC(C)(C)C)N[C@H](C(=O)O)CO
butyric acidCCCC(=O)O
camphoric acidO=C(O)C1CCC(C(=O)O)(C)C1(C)C
chloroacetic acidClCC(O)=O
cinnamic acidO=C(O)C=Cc1ccccc1
citric acid anhydrousO=C(O)CC(O)(C(=O)O)CC(=O)O
citric acid monohydrateO=C(O)CC(O)(C(=O)O)CC(=O)O
crotonaldehydeCC=CC=O
crotonic acidO=C(O)/C=C/C
cyclohexanecarbaldehydeC1CCC(CC1)C=O
cyclohexanecarboxylic acidC1CCC(CC1)C(=O)O
cyclohexanepropionic acidC1CCC(CC1)CCC(=O)O
cyclohexylamineNC1CCCCC1
dehydrodivanillinO=Cc2cc(c1cc(cc(OC)c1O)C=O)c(O)c(OC)c2, solvent: 1-propanol, s
di(methyl vanillate)O=C(OC)c2cc(c1cc(cc(OC)c1O)C(=O)OC)c(O)c(OC)c2, solvent: 1-
diapocyninO=C(c2cc(c1cc(cc(OC)c1O)C(=O)C)c(O)c(OC)c2)C, solvent: 1-propanol, solventsmil
diphenylacetic acidO=C(O)C(c1ccccc1)c2ccccc2
formic acidO=CO
furfuraldehydeO=Cc1ccco1
furfurylamineo1c(ccc1)CN
furoic acidOC(=O)c1ccco1
glycine methyl esterO=C(OC)CN
hexanaldehydeCCCCCC=O
hexanoic acidCCCCCC(=O)O
ibuprofenO=C(O)C(c1ccc(cc1)CC(C)C)C
isovaleric acidCC(C)CC(=O)O
linoleic acidCCCCCC=CCC=CCCCCCCCC(=O)O
m-anisaldehydeCOc1cc(C=O)ccc1
maleic acidC(=CC(=O)O)C(=O)O
mandelic acidO=C(O)C(O)c1ccccc1
methacrylic acidCC(=C)C(=O)O
methoxyacetic acidCOCC(=O)O
nicotinic acidO=C(O)c1cccnc1
o-chloroanilineNc1ccccc1Cl
o-vanillinOc1c(cccc1OC)C=O
octanoic acidCCCCCCCC(=O)O
octylamineNCCCCCCCC
p-anisaldehydeCOc1ccc(C=O)cc1
p-tolualdehydeO=Cc1ccc(C)cc1
p-toluenesulfonic acidO=S(=O)(O)c1ccc(cc1)C
p-toluenesulfonylmethyl isocyanideO=S(=O)(c1ccc(cc1)C)C[N+]#[C-]
pentanoic acidCCCCC(=O)O
phenanthrenec3cc2ccc1ccccc1c2cc3
phenanthrene-9-carboxaldehydeO=Cc2cc3c(c1c2cccc1)cccc3
phenylacetic acidO=C(O)Cc1ccccc1
phenylpropynoic acidO=C(C#Cc1ccccc1)O
phthalic acidO=C(O)c1ccccc1C(=O)O
piperonalO=Cc1ccc2OCOc2c1
propanoic acidCCC(=O)O
pyrenec3ccc2ccc1cccc4c1c2c3cc4
riboflavinO=C2/N=C\1/N(c3cc(c(cc3/N=C/1C(=O)N2)C)C)CC(O)C(O)C(O)CO
salicylaldehydec1cccc(C=O)c1O
salicylic acidO=C(O)c1ccccc1O
sinapic acidO=C(O)\C=C\c1cc(OC)c(O)c(OC)c1
sodium chlorideCl[Na]
succinic acidOC(CCC(O)=O)=O
tartaric acidC(C(C(=O)O)O)(C(=O)O)O
thianthreneS1c3c(Sc2c1cccc2)cccc3
trans-2-hexen-1-alCCCC=CC=O
trichloroacetic acidC(=O)(C(Cl)(Cl)Cl)O
undecanoic acidO=C(O)CCCCCCCCCC
ureaNC(=O)N
vanillinOc1ccc(cc1OC)C=O
veratraldehydeCOc1cc(ccc1OC)C=O
xantheneO2c1ccccc1Cc3c2cccc3