Molecule ID: 3314

IUPAC Name: 2-methoxy-4-prop-2-enylphenol

Description: The molecule is a phenylpropanoid formally derived from guaiacol with an allyl chain substituted para to the hydroxy group. It has a role as an allergen, a plant metabolite, a human blood serum metabolite and a sensitiser. It is a phenylpropanoid, a monomethoxybenzene and a member of phenols. It derives from a guaiacol.

SMILES: C=CCc1ccc(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/h3,5-7,11H,1,4H2,2H3

Molecular Properties:
- Polar Surface Area: 29.5 Ų
- LogP: 2.0