Molecule ID: 118534

IUPAC Name: 2-(3-chloro-4-hydroxyphenyl)acetic acid

Description: The molecule is a hydroxy monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 3-chloro-4-hydroxyphenyl group. It is a major chlorinated metabolite of chlorotyrosine. It has a role as a mammalian metabolite. It is a hydroxy monocarboxylic acid, a member of phenols and a member of monochlorobenzenes. It derives from an acetic acid.

SMILES: O=C(O)Cc1ccc(O)c(Cl)c1

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

InChI: InChI=1S/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 1.5