4-chloro-4'-hydroxybenzophenone

Synonyms: "4-hydroxy-4'-chlorobenzophenone", "4-p-chlorobenzoylphenol", "(4-chlorophenyl)(4-hydroxyphenyl)methanone", "4-chlorophenyl 4-hydroxyphenyl ketone"

Source: 4-chloro-4'-hydroxybenzophenone is an intermediate compound, it is used as constituent in synthetic perfumes and for making pharmaceutical products.

Identifiers:

IUPAC Name: (4-chlorophenyl)-(4-hydroxyphenyl)methanone
CAS Number: 42019-78-3
PubChem ID: 123504
InChiKey: RUETVLNXAGWCDS-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)O

Structural Properties:

Molecular Formula: C13H9ClO2
Molecular Weight: 232,662

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 16

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

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


Schultz TW, Seward JR, Sinks GD. 2000. Estrogenicity of benzophenones evaluated with a recombinant yeast assay: comparison of experimental and rules-based predicted activity. Environ Toxicol Chem 19(2):301-304.
Schultz TW, Sinks GD, Cronin MTD. 2000. Effect of substituent size and dimensionality on potency of phenolic xenoestrogens evaluated with a recombinant yeast assay. Environ Toxicol Chem 19(11):2637-2642.

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