4-hydroxyacetophenone

Synonyms: "4'-hydroxyacetophenone", "1-(4-hydroxyphenyl)ethanone", "p-hydroxyacetophenone", "4-acetylphenol", "piceol"

Source: 4-hydroxyacetophenone is a phenolic compound found in mycorrhizal roots of Norway spruces (Picea abies).

Identifiers:

IUPAC Name: 1-(4-hydroxyphenyl)ethanone
CAS Number: 99-93-4
PubChem ID: 7469
InChiKey: TXFPEBPIARQUIG-UHFFFAOYSA-N
Canonical SMILES: CC(=O)C1=CC=C(C=C1)O

Structural Properties:

Molecular Formula: C₈H₈O₂
Molecular Weight: 136.148

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 10

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3D structure (.sdf)
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3D structure (.pdb)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Nishihara T, Nishikawa J, Kanayama T, Dakeyama F, Saito K, Imagawa M, Takatori S, Kitagawa Y, Hori S, Utsumi H. 2000. Estrogenic activities of 517 chemicals by yeast two-hybrid assay. Journal of Health Science 46(4):282-298.