(6-phenylhexyl)benzene

• ChemBase ID: 80416
• Molecular Formular: C18H22
• Molecular Mass: 238.36728
• Monoisotopic Mass: 238.1721507
• SMILES: C(c1ccccc1)CCCCCc1ccccc1
• Canonical SMILES: C(CCc1ccccc1)CCCc1ccccc1
• InChI: InChI=1S/C18H22/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h3-4,7-10,13-16H,1-2,5-6,11-12H2
• InChIKey: DVGPMIRVCZNXMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-phenylhexyl)benzene
• IUPAC Traditional name: (6-phenylhexyl)benzene
• Synonyms: 1,6-diphenylhexane

Database IDs

• MDL Number: MFCD00114124
• PubChem SID: 162067536
• PubChem CID: 136853

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.2878833
• LogD (pH = 7.4): 6.2878833
• Log P: 6.2878833
• Molar Refractivity: 78.8002 cm^3
• Polarizability: 30.96206 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false