1-methyl-2-[2-(2-methylphenyl)ethyl]benzene

• ChemBase ID: 91191
• Molecular Formular: C16H18
• Molecular Mass: 210.31412
• Monoisotopic Mass: 210.14085058
• SMILES: Cc1c(cccc1)CCc1c(cccc1)C
• Canonical SMILES: Cc1ccccc1CCc1ccccc1C
• InChI: InChI=1S/C16H18/c1-13-7-3-5-9-15(13)11-12-16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3
• InChIKey: QFEPNMCDSBNJDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-2-[2-(2-methylphenyl)ethyl]benzene
• IUPAC Traditional name: 1-methyl-2-[2-(2-methylphenyl)ethyl]benzene
• Synonyms: 1,2-Bis(2-methylphenyl)ethane; 2,2'-Dimethylbibenzyl; 1,2-Di-o-tolylethane; 2,2′-Dimethylbibenzyl; 1,2-二邻甲苯基乙烷; 2,2′-二甲基联苄

Database IDs

• CAS Number: 952-80-7
• MDL Number: MFCD00075255
• PubChem SID: 162077895
• PubChem CID: 136769

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.5364513
• LogD (pH = 7.4): 5.5364513
• Log P: 5.5364513
• Molar Refractivity: 70.4786 cm^3
• Polarizability: 27.102003 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): C16H18