Molecule ID: 10443535

IUPAC Name: 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoic acid

Description: The molecule is a hydroxy monocarboxylic acid that is ibuprofen in which the methine proton on the isobutyl group has been replaced by a hydroxy group. It has a role as a drug metabolite. It is a hydroxy monocarboxylic acid and a tertiary alcohol.

SMILES: CC(C(=O)O)c1ccc(CC(C)(C)O)cc1

SELFIES: [C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][O][C][=C][Ring1][O]

InChI: InChI=1S/C13H18O3/c1-9(12(14)15)11-6-4-10(5-7-11)8-13(2,3)16/h4-7,9,16H,8H2,1-3H3,(H,14,15)

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 2.1