Molecule ID: 16197

IUPAC Name: 2-(4-chlorophenyl)-3-methylbutanoic acid

Description: The molecule is a monocarboxylic acid consisting of isovaleric acid having a 4-chlorophenyl group at the 2-position. It is a monocarboxylic acid and a member of monochlorobenzenes. It derives from an isovaleric acid.

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

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

InChI: InChI=1S/C11H13ClO2/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,13,14)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 3.4