Molecule ID: 31211

IUPAC Name: 4-(4-hydroxy-3-methoxyphenyl)butan-2-one

Description: The molecule is a ketone that is 4-phenylbutan-2-one in which the phenyl ring is substituted at positions 3 and 4 by methoxy and hydroxy groups respectively. The major pungent component in ginger. It has a role as an antioxidant, an anti-inflammatory agent, a radiation protective agent, an antiemetic, a flavouring agent and a fragrance. It is a member of phenols, a ketone and a monomethoxybenzene.

SMILES: COc1cc(CCC(C)=O)ccc1O

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

InChI: InChI=1S/C11H14O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-7,13H,3-4H2,1-2H3

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 0.8