Molecule ID: 74603253

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

Description: The molecule is a hydroxy monocarboxylic acid anion that is the conjugate base of 2-hydroxyibuprofen, obtained by deprotonation of the carboxy group; major species at pH 7.3.

SMILES: CC(C(=O)[O-])c1ccc(CC(C)(C)O)cc1

SELFIES: [C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][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)/p-1

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 2.8