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4'-tert-Butyl-2,6-dimethylbiphenyl-4-ol (906101-33-5)

Identification
Name:4'-tert-Butyl-2,6-dimethylbiphenyl-4-ol
Synonyms:[1,1'-Biphenyl]-4-ol, 4'-(1,1-dimethylethyl)-2,6-dimethyl-;4'-tert-Butyl-2,6-dimethylbiphenyl-4-ol;LogP
CAS:906101-33-5
Molecular Formula: C18H22O
Molecular Weight: 254.37
InChI: InChI=1/C18H22O/c1-12-10-16(19)11-13(2)17(12)14-6-8-15(9-7-14)18(3,4)5/h6-11,19H,1-5H3
Molecular Structure: (C18H22O) [1,1'-Biphenyl]-4-ol, 4'-(1,1-dimethylethyl)-2,6-dimethyl-;4'-tert-Butyl-2,6-dimethylbiphenyl-4-ol;L...
Properties
Density:1.007
Refractive index:1.552
Specification:

The 4'-tert-Butyl-2,6-dimethylbiphenyl-4-ol with its cas register number is 906101-33-5. The Systematic name about this chemical is 4-(4-tert-butylphenyl)-3,5-dimethyl-phenol.

Physical properties about 4'-tert-Butyl-2,6-dimethylbiphenyl-4-ol are: (1)ACD/LogP: 5.81; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.81; (4)ACD/LogD (pH 7.4): 5.81; (5)ACD/BCF (pH 5.5): 15290.96; (6)ACD/BCF (pH 7.4): 15266.24; (7)ACD/KOC (pH 5.5): 34419.39; (8)ACD/KOC (pH 7.4): 34363.74; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.23Å2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 80.76 cm3; (15)Molar Volume: 252.3 cm3; (16)Polarizability: 32.01x10-24cm3; (17)Surface Tension: 36.1 dyne/cm; (18)Enthalpy of Vaporization: 60.99 kJ/mol; (19)Vapour Pressure: 3.69E-05 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(cc(c1c2ccc(cc2)C(C)(C)C)C)O
(2)InChI: InChI=1/C18H22O/c1-12-10-16(19)11-13(2)17(12)14-6-8-15(9-7-14)18(3,4)5/h6-11,19H,1-5H3
(3)InChIKey: RIYABMKGORLKGD-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C18H22O/c1-12-10-16(19)11-13(2)17(12)14-6-8-15(9-7-14)18(3,4)5/h6-11,19H,1-5H3
(5)Std. InChIKey: RIYABMKGORLKGD-UHFFFAOYSA-N

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