1-phenyl-4-(propan-2-yl)benzene

• ChemBase ID: 302388
• Molecular Formular: C15H16
• Molecular Mass: 196.28754
• Monoisotopic Mass: 196.12520051
• SMILES: CC(C)c1ccc(cc1)c1ccccc1
• Canonical SMILES: CC(c1ccc(cc1)c1ccccc1)C
• InChI: InChI=1S/C15H16/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-12H,1-2H3
• InChIKey: KWSHGRJUSUJPQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenyl-4-(propan-2-yl)benzene
• IUPAC Traditional name: 4-isopropylbiphenyl
• Synonyms: 4-Isopropylbiphenyl; 4-异丙基联苯

Database IDs

• CAS Number: 7116-95-2
• EC Number: 230-420-1
• MDL Number: MFCD00221718
• Beilstein Number: 1858288

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.8654804
• LogD (pH = 7.4): 4.8654804
• Log P: 4.8654804
• Molar Refractivity: 65.385 cm^3
• Polarizability: 26.974804 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 11°C
• Boiling Point: 110-112°C/1mm
• Density: 1.461
• Refractive Index: 1.5840

Safety Information

• RTECS: DV5415000
• TSCA Listed: 否

Product Information

• Purity: 97%