1H-Indene,7-[4-(1,1-dimethylethyl)phenyl]-2-methyl- (245653-52-5)

The 7-(4-tert-Butylphenyl)-2-methyl-1H-indene is an organic compound with the formula C₂₀H₂₂. The systematic name of this chemical is 7-(4-tert-butylphenyl)-2-methyl-1H-indene. With the CAS registry number 245653-52-5, it is also named as 1H-indene, 7-[4-(1,1-dimethylethyl)phenyl]-2-methyl-.

Physical properties about this chemical are: (1)ACD/LogP: 6.30; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 111324; (6)ACD/BCF (pH 7.4): 111324; (7)ACD/KOC (pH 5.5): 142537; (8)ACD/KOC (pH 7.4): 142537; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.569; (11)Molar Refractivity: 85.714 cm³; (12)Molar Volume: 261.774 cm³; (13)Polarizability: 33.98×10^-24cm³; (14)Surface Tension: 36.465 dyne/cm; (15)Density: 1.002 g/cm³; (16)Flash Point: 207.262 °C; (17)Enthalpy of Vaporization: 61.377 kJ/mol; (18)Boiling Point: 389.402 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1(cccc\2c1C/C(=C/2)C)c3ccc(cc3)C(C)(C) 
(2)InChI: nChI=1/C20H22/c1-14-12-16-6-5-7-18(19(16)13-14)15-8-10-17(11-9-15)20(2,3)4/h5-12H,13H2,1-4H3 
(3)InChIKey: PTXKTRAWAVSZKX-UHFFFAOYAP 
(4)Std. InChI: InChI=1S/C20H22/c1-14-12-16-6-5-7-18(19(16)13-14)15-8-10-17(11-9-15)20(2,3)4/h5-12H,13H2,1-4H3 (5)Std. InChIKey: PTXKTRAWAVSZKX-UHFFFAOYSA-N