Molecule ID: 53359352

IUPAC Name: 2-hydroxy-6-[2-(4-hydroxyphenyl)-2-oxoethyl]benzoic acid

Description: The molecule is a monohydroxybenzoic acid that is 2-hydroxybenzoic acid substituted by a 2-(4-hydroxyphenyl)-2-oxoethyl group at position 6. It has been isolated from the roots of Scorzonera judaica. It has a role as a metabolite and a plant metabolite. It is a monohydroxybenzoic acid, a member of phenols and an aromatic ketone.

SMILES: O=C(Cc1cccc(O)c1C(=O)O)c1ccc(O)cc1

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

InChI: InChI=1S/C15H12O5/c16-11-6-4-9(5-7-11)13(18)8-10-2-1-3-12(17)14(10)15(19)20/h1-7,16-17H,8H2,(H,19,20)

Molecular Properties:
- Polar Surface Area: 94.8 Ų
- LogP: 2.6