Molecule ID: 443851

IUPAC Name: 2-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]acetic acid

Description: The molecule is a 2-hydroxy monocarboxylic acid that is mandelic acid carrying dimethylallyl and hydroxy substituents at positions 3 and 4 respectively. It is a 2-hydroxy monocarboxylic acid and a member of phenols. It derives from a mandelic acid. It is a conjugate acid of a 3-dimethylallyl-4-hydroxymandelate.

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

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

InChI: InChI=1S/C13H16O4/c1-8(2)3-4-9-7-10(5-6-11(9)14)12(15)13(16)17/h3,5-7,12,14-15H,4H2,1-2H3,(H,16,17)

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 2.4