Molecule ID: 853433

IUPAC Name: 2-methoxy-4-[(E)-prop-1-enyl]phenol

Description: The molecule is a phenylpropanoid that is an isomer of eugenol in which the allyl substituent is replaced by a prop-1-enyl group. It has a role as an allergen and a sensitiser. It derives from a guaiacol.

SMILES: C/C=C/c1ccc(O)c(OC)c1

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

InChI: InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+

Molecular Properties:
- Polar Surface Area: 29.5 Ų
- LogP: 2.6