(4-phenylbutyl)benzene

• ChemBase ID: 112878
• Molecular Formular: C16H18
• Molecular Mass: 210.31412
• Monoisotopic Mass: 210.14085058
• SMILES: C(CCc1ccccc1)Cc1ccccc1
• Canonical SMILES: C(Cc1ccccc1)CCc1ccccc1
• InChI: InChI=1S/C16H18/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
• InChIKey: GLJFYGFBITUZOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-phenylbutyl)benzene
• IUPAC Traditional name: (4-phenylbutyl)benzene
• Synonyms: 1,4-DIPHENYL-n-BUTANE

Database IDs

• CAS Number: 51001-35-5
• PubChem SID: 162098357
• PubChem CID: 66182

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.398746
• LogD (pH = 7.4): 5.398746
• Log P: 5.398746
• Molar Refractivity: 69.5982 cm^3
• Polarizability: 27.26901 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 46°C

DETAILS

MP Biomedicals - 05226366

MP Biomedicals Rare Chemical collection