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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3D structure (.sdf)
3D structure (.mol2)
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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.