4-n-butoxyphenol

Synonyms: "4-butoxyphenol", "p-butoxyphenol", "4-normal-butoxyphenol", "hydroquinone butyl ether"

Source: 4-n-butoxyphenol is used as solvent in organic synthesis.

Identifiers:

IUPAC Name: 4-butoxyphenol
CAS Number: 122-94-1
PubChem ID: 31233
InChiKey: MBGGFXOXUIDRJD-UHFFFAOYSA-N
Canonical SMILES: CCCCOC1=CC=C(C=C1)O

Structural Properties:

Molecular Formula: C₁₀H₁₄O₂
Molecular Weight: 166.217

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 12

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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

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.

Soto AM, Lin TM, Justicia H, Silvia RM, Sonnenschein C. 1992. An "in culture" bioassay to assess the estrogenicity of xenobiotics (E-SCREEN). In: Colborn T, Clement C, eds. Chemically Induced Alterations in Sexual and Functional Development: The Wildlife/Human Connection. Princeton, NJ: Princeton Scientific Publishing Co., Inc. p 295-309. (Mehlman MA, ed. Advances in Modern Environmental Toxicology, 21).