3-hydroxy-2-(2-hydroxypropyl)benzoic acid

C10H12O4 — CID 174903948

IUPAC3-hydroxy-2-(2-hydroxypropyl)benzoic acid
SMILESCC(O)Cc1c(O)cccc1C(=O)O
InChIInChI=1S/C10H12O4/c1-6(11)5-8-7(10(13)14)3-2-4-9(8)12/h2-4,6,11-12H,5H2,1H3,(H,13,14)
InChIKeyXONKLSDYVCQHAH-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.01
Rot. Bonds3

About 3-hydroxy-2-(2-hydroxypropyl)benzoic acid

3-hydroxy-2-(2-hydroxypropyl)benzoic acid (PubChem CID 174903948) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 3-hydroxy-2-(2-hydroxypropyl)benzoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(2-hydroxypropyl)benzoic acid
PubChem CID174903948
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name3-hydroxy-2-(2-hydroxypropyl)benzoic acid
SMILESCC(O)Cc1c(O)cccc1C(=O)O
InChIInChI=1S/C10H12O4/c1-6(11)5-8-7(10(13)14)3-2-4-9(8)12/h2-4,6,11-12H,5H2,1H3,(H,13,14)
InChIKeyXONKLSDYVCQHAH-UHFFFAOYSA-N
XLogP1.01
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-2-(2-hydroxypropyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-[(2-carboxy-6-hydroxyphenyl)methyl]phenyl]methyl]-3-hydroxybenzoic acid
CID 70452171
2-hydroxybenzoic acid;3-hydroxybutanoic acid
CID 159574969
2-hydroxy-6-[(2S)-2-hydroxypropyl]benzoic acid
CID 162921751
2,3-bis(2-hydroxypropyl)naphthalene-1,8-dicarboxylic acid
CID 68522275
2-(2-cyclopropylpropyl)benzene-1,3-dicarboxylic acid
CID 174763989
2-methylbenzene-1,3-dicarboxylic acid;propan-2-ol
CID 175270418
2-butan-2-yl-3-hydroxybenzoic acid
CID 67715219
2-ethyl-3-propan-2-ylbenzoic acid
CID 89352889
3-(2,6-dihydroxyphenyl)-2-hydroxypropanoic acid
CID 139243427
N,N-dimethylmethanamine;2-hydroxybenzoic acid
CID 173188925
2,3-diethyl-4-hydroxybenzoic acid
CID 66720477
2-(2,2-dimethylpropyl)benzene-1,3-dicarboxylic acid
CID 21221868

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(2-hydroxypropyl)benzoic acid?
The IUPAC name of 3-hydroxy-2-(2-hydroxypropyl)benzoic acid (CID 174903948) is 3-hydroxy-2-(2-hydroxypropyl)benzoic acid.
What is the SMILES notation for 3-hydroxy-2-(2-hydroxypropyl)benzoic acid?
The canonical SMILES for 3-hydroxy-2-(2-hydroxypropyl)benzoic acid is CC(O)Cc1c(O)cccc1C(=O)O.
What is the InChIKey of 3-hydroxy-2-(2-hydroxypropyl)benzoic acid?
The InChIKey is XONKLSDYVCQHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-6(11)5-8-7(10(13)14)3-2-4-9(8)12/h2-4,6,11-12H,5H2,1H3,(H,13,14).
What are the key properties of 3-hydroxy-2-(2-hydroxypropyl)benzoic acid?
3-hydroxy-2-(2-hydroxypropyl)benzoic acid has a molecular weight of 196.20 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2-hydroxypropyl)benzoic acid is sourced from PubChem (CID 174903948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).