retene

Synonyms: "1-methyl-7-isopropylphenanthrene", "7-isopropyl-1-methylphenanthrene", "1-methyl-7-(1-methylethyl)phenanthrene", "1-methyl-7-propan-2-ylphenanthrene", "7-isopropyl-1-methylphenanthren", "7-Isopropyl-1-methyl-phenanthrene".

Source: Retene is found in sediments and as a product in the smoke from wood combustion.

Identifiers:

IUPAC Name: 1-methyl-7-propan-2-ylphenanthrene
CAS Number: 483-65-8
PubChem ID: 10222
InChiKey: NXLOLUFNDSBYTP-UHFFFAOYSA-N
Canonical SMILES: CC1=CC=CC2=C1C=CC3=C2C=CC(=C3)C(C)C

Structural Properties:

Molecular Formula: C₁₈H₁₈
Molecular Weight: 234.342

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 18

Downloads

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

Search Similar molecules

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

Billiard SM, Querbach K, Hodson PV. 1999. Toxicity of retene to early life stages of two freshwater fish species. Environ Toxicol Chem 18(9):2070-2077. DOI: 10.1002/etc.5620180927. URL: http://onlinelibrary.wiley.com/doi/10.1002/etc.5620180927/abstract.