Benzo[b]thiophene,2-(4-methoxyphenyl)- (27884-09-9)

The 2-(4-Methoxyphenyl)benzothiophene with its cas register number is 27884-09-9. It also can be called as Benzo[b]thiophene,2-(4-methoxyphenyl)- and the Systematic name about this chemical is 2-(4-methoxyphenyl)-1-benzothiophene.

Physical properties about 2-(4-Methoxyphenyl)benzothiophene are: (1)ACD/LogP: 5.95; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.95; (4)ACD/LogD (pH 7.4): 5.95; (5)ACD/BCF (pH 5.5): 19683.64; (6)ACD/BCF (pH 7.4): 19683.64; (7)ACD/KOC (pH 5.5): 41238.88; (8)ACD/KOC (pH 7.4): 41238.88; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 37.47Ų; (12)Index of Refraction: 1.649; (13)Molar Refractivity: 73.75 cm³; (14)Molar Volume: 202.3 cm³; (15)Polarizability: 29.23x10^-24cm³; (16)Surface Tension: 45.1 dyne/cm; (17)Enthalpy of Vaporization: 62.68 kJ/mol; (18)Vapour Pressure: 2.79E-06 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: O(c3ccc(c2sc1ccccc1c2)cc3)C
(2)InChI: InChI=1/C15H12OS/c1-16-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)17-15/h2-10H,1H3
(3)InChIKey: ADKCFCOXELVRJV-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C15H12OS/c1-16-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)17-15/h2-10H,1H3
(5)Std. InChIKey: ADKCFCOXELVRJV-UHFFFAOYSA-N