Molecule ID: 132759

IUPAC Name: 4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)benzoic acid

Description: The molecule is a monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted with a methoxy group at C-3 and a polyprenyl chain of unspecified length at C-5. It is an olefinic compound, a monohydroxybenzoic acid and a methoxybenzoic acid. It is a conjugate acid of a 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoate.

SMILES: COc1cc(C(=O)O)cc(CC=C(C)C)c1O

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

InChI: InChI=1S/C13H16O4/c1-8(2)4-5-9-6-10(13(15)16)7-11(17-3)12(9)14/h4,6-7,14H,5H2,1-3H3,(H,15,16)

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 3.0