Molecule ID: 21648

IUPAC Name: 4-(4-hydroxyphenyl)butan-2-one

Description: The molecule is a ketone that is 4-phenylbutan-2-one in which the phenyl ring is substituted at position 4 by a hydroxy group. It is found in a variety of fruits including raspberries, blackberries and cranberries, and is used in perfumery and cosmetics. It has a role as a flavouring agent, a fragrance, a metabolite, a hepatoprotective agent, a cosmetic and an androgen antagonist. It is a member of phenols and a methyl ketone.

SMILES: CC(=O)CCc1ccc(O)cc1

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

InChI: InChI=1S/C10H12O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7,12H,2-3H2,1H3

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 1.5