1-benzyl-4-methylbenzene

• ChemBase ID: 8533
• Molecular Formular: C14H14
• Molecular Mass: 182.26096
• Monoisotopic Mass: 182.10955045
• SMILES: c1cccc(c1)Cc1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)Cc1ccccc1
• InChI: InChI=1S/C14H14/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
• InChIKey: SIYISNUJKMAQBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-4-methylbenzene
• IUPAC Traditional name: P-tolyltoluene
• Synonyms: 4-Methyldiphenylmethane

Database IDs

• CAS Number: 620-83-7
• MDL Number: MFCD00048102
• PubChem SID: 160971840
• PubChem CID: 69290

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.578461
• LogD (pH = 7.4): 4.578461
• Log P: 4.578461
• Molar Refractivity: 60.8364 cm^3
• Polarizability: 23.573591 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.97

Safety Information

• TSCA Listed: false

Product Information

• Purity: 98%