Molecule ID: 443852

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

Description: The molecule is a monohydroxybenzoic acid that is 4-hydroxybenzoic acid bearing an additional dimethylallyl substituent at position 3. It has a role as a plant metabolite. It is a conjugate acid of a 3-dimethylallyl-4-hydroxybenzoate.

SMILES: CC(C)=CCc1cc(C(=O)O)ccc1O

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

InChI: InChI=1S/C12H14O3/c1-8(2)3-4-9-7-10(12(14)15)5-6-11(9)13/h3,5-7,13H,4H2,1-2H3,(H,14,15)

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 3.0