1,1'-Biphenyl,2,4,6-trimethyl- (3976-35-0)

The 2,4,6-Trimethylbiphenyl, with CAS registry number 3976-35-0, has the systematic name of 2,4,6-trimethylbiphenyl. And its IUPAC name is 1,3,5-trimethyl-2-phenylbenzene. Besides this, it is also called 1,1'-biphenyl, 2,4,6-trimethyl-. And the chemical formula of this chemical is C₁₅H_16.

Physical properties of 2,4,6-Trimethylbiphenyl: (1)ACD/LogP: 5.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.36; (4)ACD/LogD (pH 7.4): 5.36; (5)ACD/BCF (pH 5.5): 6926.22; (6)ACD/BCF (pH 7.4): 6926.22; (7)ACD/KOC (pH 5.5): 19526.23; (8)ACD/KOC (pH 7.4): 19526.23; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 65.31 cm³; (15)Molar Volume: 203.5 cm³; (16)Polarizability: 25.89×10^-24cm³; (17)Surface Tension: 34.5 dyne/cm; (18)Enthalpy of Vaporization: 49.28 kJ/mol; (19)Vapour Pressure: 0.00878 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1)c2c(cc(cc2C)C)C
(2)InChI: InChI=1/C15H16/c1-11-9-12(2)15(13(3)10-11)14-7-5-4-6-8-14/h4-10H,1-3H3
(3)InChIKey: CDKUYUULLQLNFF-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C15H16/c1-11-9-12(2)15(13(3)10-11)14-7-5-4-6-8-14/h4-10H,1-3H3
(5)Std. InChIKey: CDKUYUULLQLNFF-UHFFFAOYSA-N