4-(4-hydroxyphenyl)-2-butanone

Synonyms: "raspberry ketone", "4-(4-hydroxyphenyl)butan-2-one", "oxyphenalon", "frambinone", "rheosmin", "4-hydroxybenzylacetone", "4-(p-hydroxyphenyl)-2-butanone", "rasketone", "p-hydroxybenzyl acetone", "4-(3-oxobutyl)phenol", "1-(p-hydroxyphenyl)-3-butanone", "1-(4-hydroxyphenyl)-3-butanone", "(p-hydroxybenzyl)acetone", "oxyphenylon", "rasberry ketone", "p-hydroxyphenylbutan-2-one".

Source: 4-(4-Hydroxyphenyl)-2-butanone is the primary aroma compound of red raspberries.

Identifiers:

IUPAC Name: 4-(4-hydroxyphenyl)butan-2-one
CAS Number: 5471-51-2
PubChem ID: 21648
InChiKey: NJGBTKGETPDVIK-UHFFFAOYSA-N
Canonical SMILES: CC(=O)CCC1=CC=C(C=C1)O

Structural Properties:

Molecular Formula: C₁₀H₁₂O₂
Molecular Weight: 164.204

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 12

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Schultz TW, Sinks GD, Cronin MT. 2002. Structure-activity relationships for gene activation oestrogenicity: evaluation of a diverse set of aromatic chemicals. Environmental Toxicology 17(1):14-23. DOI: 10.1002/tox.10027. URL: http://onlinelibrary.wiley.com/doi/10.1002/tox.10027/abstract.