4-benzyloxyphenol

Synonyms: "monobenzone", "4-(benzyloxy)phenol", "benoquin", "hydroquinone monobenzyl ether", "agerite alba", "benzoquin", "carmifal", "depigman"

Source: 4-benzyloxyphenol is a raw material of depigmentation agent to treat vitiligo, help to decrease the color difference.

Identifiers:

IUPAC Name: 4-phenylmethoxyphenol
CAS Number: 103-16-2
PubChem ID: 7638
InChiKey: VYQNWZOUAUKGHI-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)O

Structural Properties:

Molecular Formula: C₁₃H₁₂O₂
Molecular Weight: 200.233

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 15

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

Blair RM, Fang H, Branham WS, Hass BS, Dial SL, Moland CL, Tong W, Shi L, Perkins R, Sheehan DM. 2000. The estrogen receptor relative binding affinities of 188 natural and xenochemicals: structural diversity of ligands. Toxicol Sci 54(1):138-153.

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.