(2-phenylpropyl)benzene

• ChemBase ID: 112218
• Molecular Formular: C15H16
• Molecular Mass: 196.28754
• Monoisotopic Mass: 196.12520051
• SMILES: CC(Cc1ccccc1)c1ccccc1
• Canonical SMILES: CC(c1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C15H16/c1-13(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3
• InChIKey: XLWCIHPMASUXPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenylpropyl)benzene
• IUPAC Traditional name: 1-methyl-1,2-diphenylethane
• Synonyms: α-METHYL BIBENZYL

Database IDs

• PubChem SID: 162106630
• PubChem CID: 22068

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.7966275
• LogD (pH = 7.4): 4.7966275
• Log P: 4.7966275
• Molar Refractivity: 64.9448 cm^3
• Polarizability: 25.420975 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05222962

MP Biomedicals Rare Chemical collection