2-sec-butylphenol

Synonyms: "o-sec-butylphenol","2-(1-methylpropyl)phenol", "2-(2-butyl)phenol", "2-(butan-2-yl)phenol", "isopropyl o-cresol", "2-(methylpropyl)phenol", "ortho-sec-butylphenol", "sec-butylphenol".

Source: 2-sec-butylphenol is a solvent in organic synthesis and precursor to synthesize various coumarin and benzofuran derivatives that are used as lipid-lowering agents and potential bone anabolic agents.

Identifiers:

IUPAC Name: 2-butan-2-ylphenol
CAS Number: 89-72-5
PubChem ID: 6984
InChiKey: NGFPWHGISWUQOI-UHFFFAOYSA-N
Canonical SMILES: CCC(C)C1=CC=CC=C1O

Structural Properties:

Molecular Formula: C₁₀H₁₄O
Molecular Weight: 150.221

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 11

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

Fang H, Tong WD, Branham WS, Moland CL, Dial SL, Hong HX, Xie Q, Perkins R, Owens W, Sheehan DM. 2003. Study of 202 natural, synthetic, and environmental chemicals for binding to the androgen receptor. Chem Res Toxicol 16(10):1338-1358. DOI: 10.1021/tx030011g. URL: http://pubs.acs.org/doi/abs/10.1021/tx030011g.