Molecule ID: 15608168

IUPAC Name: 3-(5-carboxy-2-hydroxy-3-methoxyphenyl)-4,5-dihydroxybenzoic acid

Description: The molecule is a dicarboxylic acid that is 5,5',6,6'-tetrahydroxy[biphenyl]-3,3'dicarboxylic acid in which one of the hydroxy groups that is meta to a carboxy group has been converted into the corresponding methyl ether. It is a member of hydroxybiphenyls, a carboxybiphenyl, a member of catechols, an aromatic ether and a dicarboxylic acid. It is a conjugate acid of a 5,6,6'-trihydroxy-5'-methoxy[biphenyl]-3,3'-dicarboxylate.

SMILES: COc1cc(C(=O)O)cc(-c2cc(C(=O)O)cc(O)c2O)c1O

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

InChI: InChI=1S/C15H12O8/c1-23-11-5-7(15(21)22)3-9(13(11)18)8-2-6(14(19)20)4-10(16)12(8)17/h2-5,16-18H,1H3,(H,19,20)(H,21,22)

Molecular Properties:
- Polar Surface Area: 145.0 Ų
- LogP: 1.5