1-(propan-2-yl)-4-[3-(propan-2-yl)phenyl]benzene

• ChemBase ID: 296453
• Molecular Formular: C18H22
• Molecular Mass: 238.36728
• Monoisotopic Mass: 238.1721507
• SMILES: CC(C)c1ccc(cc1)c1cccc(c1)C(C)C
• Canonical SMILES: CC(c1ccc(cc1)c1cccc(c1)C(C)C)C
• InChI: InChI=1S/C18H22/c1-13(2)15-8-10-16(11-9-15)18-7-5-6-17(12-18)14(3)4/h5-14H,1-4H3
• InChIKey: LHNUPUGVRFQTLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(propan-2-yl)-4-[3-(propan-2-yl)phenyl]benzene
• IUPAC Traditional name: 1-isopropyl-4-(3-isopropylphenyl)benzene
• Synonyms: 3,4'-Diisopropylbiphenyl; 3,4'-二异丙基联苯

Database IDs

• CAS Number: 61434-46-6
• MDL Number: MFCD00043539
• PubChem SID: 180681984
• PubChem CID: 123379

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: 32.41767 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 94%