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

• ChemBase ID: 295641
• Molecular Formular: C18H22
• Molecular Mass: 238.36728
• Monoisotopic Mass: 238.1721507
• SMILES: CC(C)c1ccc(cc1)c1ccc(cc1)C(C)C
• Canonical SMILES: CC(c1ccc(cc1)c1ccc(cc1)C(C)C)C
• InChI: InChI=1S/C18H22/c1-13(2)15-5-9-17(10-6-15)18-11-7-16(8-12-18)14(3)4/h5-14H,1-4H3
• InChIKey: NUEUMFZLNOCRCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(propan-2-yl)-4-[4-(propan-2-yl)phenyl]benzene
• IUPAC Traditional name: 1-isopropyl-4-(4-isopropylphenyl)benzene
• Synonyms: 4,4'-Diisopropylbiphenyl; 4,4'-二异丙基联苯

Database IDs

• CAS Number: 18970-30-4
• MDL Number: MFCD00043533
• PubChem SID: 180681172
• PubChem CID: 519615

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.1104894
• LogD (pH = 7.4): 6.1104894
• Log P: 6.1104894
• Molar Refractivity: 79.5758 cm^3
• Polarizability: 32.41673 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 66°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%