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: 178,2707

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 13

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Similarity from: % to %

Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

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.

External Links

Keywords


2D-structure

3D-structure

Jmol viewer