2-nonylphenol

Synonyms: "2-nonylphenol", "o-nonylphenol", "2-n-nonyl-phenol", "ortho-n-nonyl-phenol".

Source: 2-nonylphenol is a metabolite of of nonylphenol ethoxylate.

Identifiers:

IUPAC Name: 2-nonylphenol
CAS Number: 84852-15-3
PubChem ID: 67296
InChiKey: SNQQPOLDUKLAAF-UHFFFAOYSA-N
Canonical SMILES: CCCCCCCCCC1=CC=CC=C1O

Structural Properties:

Molecular Formula: C₁₅H₂₄O
Molecular Weight: 220.356

Pharmacophore Features:

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

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3D structure (.sdf)
3D structure (.mol2)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Nishihara T, Nishikawa J, Kanayama T, Dakeyama F, Saito K, Imagawa M, Takatori S, Kitagawa Y, Hori S, Utsumi H. 2000. Estrogenic activities of 517 chemicals by yeast two-hybrid assay. Journal of Health Science 46(4):282-298. DOI: 10.1248/jhs.46.282. URL: https://www.jstage.jst.go.jp/article/jhs1999/46/4/46_4_282/_articleSoto AM, Justicia H, Wray JW, Sonnenschein C. 1991. p-Nonyl-phenol: An estrogenic xenobiotic released from "modified" polystyrene. Environ Health Perspect 92:167-173. DOI: 10.2307/3431154 . URL: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1519400/.