Molecule ID: 23786300

IUPAC Name: 2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylbenzoic acid

Description: The molecule is a member of the class of benzoic acids that is salicylic acid which is substituted at position 6 by a methyl group and at position 4 by a 3-hydroxy-5-methylphenoxy group. It has a role as a metabolite. It is a member of benzoic acids, an aromatic ether and a member of phenols.

SMILES: Cc1cc(O)cc(Oc2cc(C)c(C(=O)O)c(O)c2)c1

SELFIES: [C][C][=C][C][Branch1][C][O][=C][C][Branch2][Ring1][#Branch1][O][C][=C][C][Branch1][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][=C][Ring1][O][=C][Ring2][Ring1][Ring1]

InChI: InChI=1S/C15H14O5/c1-8-3-10(16)6-11(4-8)20-12-5-9(2)14(15(18)19)13(17)7-12/h3-7,16-17H,1-2H3,(H,18,19)

Molecular Properties:
- Polar Surface Area: 87.0 Ų
- LogP: 3.5