2-(2,5-dimethylphenyl)-1,4-dimethylbenzene

• ChemBase ID: 302331
• Molecular Formular: C16H18
• Molecular Mass: 210.31412
• Monoisotopic Mass: 210.14085058
• SMILES: Cc1ccc(c(c1)c1cc(ccc1C)C)C
• Canonical SMILES: Cc1ccc(cc1c1cc(C)ccc1C)C
• InChI: InChI=1S/C16H18/c1-11-5-7-13(3)15(9-11)16-10-12(2)6-8-14(16)4/h5-10H,1-4H3
• InChIKey: ZHTROMYSDSTCCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dimethylphenyl)-1,4-dimethylbenzene
• IUPAC Traditional name: 2-(2,5-dimethylphenyl)-1,4-dimethylbenzene
• Synonyms: 2,2',5,5'-Tetramethylbiphenyl; 2,2',5,5'-四甲基联苯

Database IDs

• CAS Number: 3075-84-1
• EC Number: 000-000-0
• MDL Number: MFCD00151846
• Beilstein Number: 2046200

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.6741567
• LogD (pH = 7.4): 5.6741567
• Log P: 5.6741567
• Molar Refractivity: 71.359 cm^3
• Polarizability: 28.562176 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 48-51°C
• Boiling Point: 284°C/732mm

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%