1-chloro-2-(diphenylmethyl)benzene

• ChemBase ID: 164507
• Molecular Formular: C19H15Cl
• Molecular Mass: 278.7754
• Monoisotopic Mass: 278.08622816
• SMILES: c1ccc(c(c1)C(c1ccccc1)c1ccccc1)Cl
• Canonical SMILES: Clc1ccccc1C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H15Cl/c20-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H
• InChIKey: IWUWHGXBCVDMST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-2-(diphenylmethyl)benzene
• IUPAC Traditional name: 1-chloro-2-(diphenylmethyl)benzene
• Synonyms: 4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]benzoic Acid Ethyl Ester

Database IDs

• CAS Number: 1065604-70-7
• PubChem SID: 162258642
• PubChem CID: 14347913

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.0899076
• LogD (pH = 7.4): 6.0899076
• Log P: 6.0899076
• Molar Refractivity: 85.2436 cm^3
• Polarizability: 33.208267 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ether; Ethyl Acetate
• Apperance: White Solid

DETAILS

Toronto Research Chemicals - C377890

Intermediate in the production of cell death regulators and apoptosis promoters.

REFERENCES

• Park, C., et al.: J. Med. Chem., 51, 6902 (2008)