1-methyl-4-[(4-methylphenyl)methyl]benzene

• ChemBase ID: 108155
• Molecular Formular: C15H16
• Molecular Mass: 196.28754
• Monoisotopic Mass: 196.12520051
• SMILES: Cc1ccc(Cc2ccc(C)cc2)cc1
• Canonical SMILES: Cc1ccc(cc1)Cc1ccc(cc1)C
• InChI: InChI=1S/C15H16/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3
• InChIKey: HZAWPPRBCALFRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-[(4-methylphenyl)methyl]benzene
• IUPAC Traditional name: 1-methyl-4-[(4-methylphenyl)methyl]benzene
• Synonyms: DI-p-TOLYLMETHANE

Database IDs

• CAS Number: 4957-14-6
• MDL Number: MFCD00026018
• PubChem SID: 162095082
• PubChem CID: 21071

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.0918827
• LogD (pH = 7.4): 5.0918827
• Log P: 5.0918827
• Molar Refractivity: 65.8776 cm^3
• Polarizability: 25.33628 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%

DETAILS

MP Biomedicals - 05206266

MP Biomedicals Rare Chemical collection