(1-phenylhexyl)benzene

• ChemBase ID: 295864
• Molecular Formular: C18H22
• Molecular Mass: 238.36728
• Monoisotopic Mass: 238.1721507
• SMILES: CCCCCC(c1ccccc1)c1ccccc1
• Canonical SMILES: CCCCCC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H22/c1-2-3-6-15-18(16-11-7-4-8-12-16)17-13-9-5-10-14-17/h4-5,7-14,18H,2-3,6,15H2,1H3
• InChIKey: BXINIXQKBCSKKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-phenylhexyl)benzene
• IUPAC Traditional name: (1-phenylhexyl)benzene
• Synonyms: 1,1-Diphenylhexane; 1,1-联苯基己烷

Database IDs

• CAS Number: 1530-04-7
• MDL Number: MFCD00041694
• PubChem SID: 180681395
• PubChem CID: 137062

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.1303334
• LogD (pH = 7.4): 6.1303334
• Log P: 6.1303334
• Molar Refractivity: 78.7478 cm^3
• Polarizability: 31.040796 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 129-130°C/2mm

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%