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Basic Information
CAS No.: 112231-66-0
Name: (S)-(+)-4'-(2-Methylbutyl)-[1,1'-biphenyl]-4-ol
Molecular Structure:
Molecular Structure of 112231-66-0 ((S)-(+)-4'-(2-Methylbutyl)-[1,1'-biphenyl]-4-ol)
Formula: C17H20O
Molecular Weight: 240.34
Synonyms: (S)-(+)-4'-(2-Methylbutyl)-[1,1'-biphenyl]-4-ol
Density: 1.018 g/cm3
Boiling Point: 367 °C at 760 mmHg
Flash Point: 173.1 °C
PSA: 20.23000
LogP: 4.64780
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Specification

The (S)-(+)-4'-(2-Methylbutyl)-[1,1'-biphenyl]-4-ol with the cas number 112231-66-0 is also called 4'-(2-methylbutyl)biphenyl-4-ol. The molecular formula of this chemical is C17H20O. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 5.60; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.6; (4)ACD/LogD (pH 7.4): 5.6; (5)ACD/BCF (pH 5.5): 10644.83; (6)ACD/BCF (pH 7.4): 10612.81; (7)ACD/KOC (pH 5.5): 26558.9; (8)ACD/KOC (pH 7.4): 26479; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 76.13 cm3; (15)Molar Volume: 235.8 cm3; (16)Polarizability: 30.18×10-24cm3; (17)Surface Tension: 38.8 dyne/cm; (18)Enthalpy of Vaporization: 63.76 kJ/mol ; (19)Vapour Pressure: 6.67×10-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc2ccc(c1ccc(cc1)CC(C)CC)cc2
(2)InChI: InChI=1/C17H20O/c1-3-13(2)12-14-4-6-15(7-5-14)16-8-10-17(18)11-9-16/h4-11,13,18H,3,12H2,1-2H3
(3)InChIKey: NJILCTCTAPYSNT-UHFFFAOYAH