(3-phenylpropyl)benzene

• ChemBase ID: 302116
• Molecular Formular: C15H16
• Molecular Mass: 196.28754
• Monoisotopic Mass: 196.12520051
• SMILES: c1ccc(cc1)CCCc1ccccc1
• Canonical SMILES: C(Cc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C15H16/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
• InChIKey: VEAFKIYNHVBNIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-phenylpropyl)benzene
• IUPAC Traditional name: 1,3-diphenylpropane
• Synonyms: 1,3-Diphenylpropane; 1,3-联苯基丙烷

Database IDs

• CAS Number: 1081-75-0
• EC Number: 214-101-4
• MDL Number: MFCD00043574
• Beilstein Number: 2044541

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.9541774
• LogD (pH = 7.4): 4.9541774
• Log P: 4.9541774
• Molar Refractivity: 64.9972 cm^3
• Polarizability: 25.422564 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 158-159°C/10mm
• Density: 0.980
• Refractive Index: 1.5600

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%