Molecular Identity
5471-51-2
4-(4-hydroxyphenyl)butan-2-one
PubChem CID: 21648
Raspberry ketone 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 metabolite, an androgen antagonist, a flavouring agent, a fragrance, a hepatoprotective agent and a cosmetic. It is a member of phenols and a methyl ketone.
2D Structure
Properties
C10H12O2
Molecular Formula
164.20
Molecular Weight
g/mol
164.0837
Exact Mass
Da
1.5
XLogP
Drug-like (Lipinski: < 5)
37.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
2
H-Bond Acceptors
146
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
5471-51-2Raspberry ketone4-(4-Hydroxyphenyl)butan-2-oneFrambinoneOxyphenalon4-(p-Hydroxyphenyl)-2-butanoneRasketone2-Butanone, 4-(4-hydroxyphenyl)-4-Hydroxybenzylacetonep-Hydroxybenzyl acetone4-(3-Oxobutyl)phenol1-(p-Hydroxyphenyl)-3-butanone1-(4-Hydroxyphenyl)-3-butanone2-BUTANONE, 4-(p-HYDROXYPHENYL)-FEMA No. 2588
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 5471-51-2
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