phenyl salicylate

Synonyms: "salol", "phenyl 2-hydroxybenzoate", "phenol salicylate", "salphenyl", "musol", "salicylic acid", "phenyl ester", "2-phenoxycarbonylphenol"

Source: phenyl salicylate is a medicine used to relieve discomfort, swelling, pain, frequent urge to urinate, and cramps or spasms of the urinary tract caused by an infection or a diagnostic procedure. It is also used by the polymer industry.

Identifiers:

IUPAC Name: phenyl 2-hydroxybenzoate
CAS Number: 118-55-8
PubChem ID: 8361
InChiKey: ZQBAKBUEJOMQEX-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O

Structural Properties:

Molecular Formula: C₁₃H₁₀O₃
Molecular Weight: 214.217

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 16

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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

Miller D, Wheals BB, Beresford N, Sumpter JP. 2001. Estrogenic activity of phenolic additives determined by an in vitro yeast bioassay. Environ Health Perspect 109(2):133-138.