1-[chloro(4-chlorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene

• ChemBase ID: 80869
• Molecular Formular: C18H20Cl2
• Molecular Mass: 307.2574
• Monoisotopic Mass: 306.094206
• SMILES: ClC(c1c(c(c(c(c1C)C)C)C)C)c1ccc(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1)C(c1c(C)c(C)c(c(c1C)C)C)Cl
• InChI: InChI=1S/C18H20Cl2/c1-10-11(2)13(4)17(14(5)12(10)3)18(20)15-6-8-16(19)9-7-15/h6-9,18H,1-5H3
• InChIKey: BIEAHTWLVQCDCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[chloro(4-chlorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene
• IUPAC Traditional name: 1-[chloro(4-chlorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene
• Synonyms: 1-[chloro(4-chlorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene

Database IDs

• MDL Number: MFCD00118670
• PubChem SID: 162067988
• PubChem CID: 2776691

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.5158796
• LogD (pH = 7.4): 7.5158796
• Log P: 7.5158796
• Molar Refractivity: 90.2185 cm^3
• Polarizability: 34.258064 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false