4-n-hexylphenol
Synonyms: "4-hexylphenol""p-n-hexylphenol", "p-hexylphenol"
Source: 4-n-hexylphenol is used in reasearch for developing antimicrobial formulations.
Identifiers:
IUPAC Name: 4-hexylphenol
CAS Number: 2246-69-7
PubChem ID: 17132
InChiKey: SZWBRVPZWJYIHI-UHFFFAOYSA-N
Canonical SMILES: CCCCCCC1=CC=C(C=C1)O
Structural Properties:
Molecular Formula: C12H18O
Molecular Weight: 178.271
Pharmacophore Features:
Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 13
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3D structure (.sdf)
3D structure (.mol2)
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3D structure (.pdbqt)
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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.
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