4-isobutylphenol

Synonyms: "p-Isobutylphenol", "4-(2-methylpropyl)phenol", "4-Isobutyl-phenol".

Source: 4-isobutylphenol is a product of transformation of 4-tert-butylphenol, which is used in fuels and lubricants, as well as an antioxidant for polymer compositions. P-isobutylphenol is also a degradation product of ibuprofen that has shown antibiotic activity.

Identifiers:

IUPAC Name: 4-(2-methylpropyl)phenol
CAS Number: 4167-74-2
PubChem ID: 123212
InChiKey: GDEHXPCZWFXRKC-UHFFFAOYSA-N
Canonical SMILES: CC(C)CC1=CC=C(C=C1)O

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

Tollefsen KE, Eikvar S, Finne EF, Fogelberg O, Gregersen IK. 2008. Estrogenicity of alkylphenols and alkylated non-phenolics in a rainbow trout (Oncorhynchus mykiss) primary hepatocyte culture. Ecotoxicol Environ Saf 71(2):370-383. DOI: 10.1016/j.ecoenv.2007.10.006. URL: https://www.sciencedirect.com/science/article/pii/S0147651307002400?via%3Dihub.