5-METHYL-2-PHENYLINDOLE

The 1H-Indole,5-methyl-2-phenyl-, with CAS registry number 13228-36-9, has the systematic name of 5-methyl-2-phenyl-1H-indole. Besides this, it is also called Indole, 5-methyl-2-phenyl-. And the chemical formula of this chemical is C₁₅H₁₃N.

Physical properties of 1H-Indole,5-methyl-2-phenyl-: (1)ACD/LogP: 5.14; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.14; (4)ACD/LogD (pH 7.4): 5.14; (5)ACD/BCF (pH 5.5): 4711.71; (6)ACD/BCF (pH 7.4): 4711.72; (7)ACD/KOC (pH 5.5): 14820.2; (8)ACD/KOC (pH 7.4): 14820.22; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 4.93 Å²; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 67.94 cm³; (15)Molar Volume: 183.4 cm³; (16)Polarizability: 26.93×10^-24cm³; (17)Surface Tension: 47.5 dyne/cm; (18)Density: 1.129 g/cm³; (19)Flash Point: 180.7 °C; (20)Enthalpy of Vaporization: 63.01 kJ/mol; (21)Boiling Point: 404.2 °C at 760 mmHg; (22)Vapour Pressure: 2.25E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by acetophenone-p-tolylhydrazone. This reaction will need reagent zinc chloride.

Uses of 1H-Indole,5-methyl-2-phenyl-: it can be used to produce 5-methyl-2-phenyl-indol-3-one. This reaction will need reagents methylene blue, O₂, pyridine and solvent methanol. The reaction time is 1.5 hour(s). The yield is about 73%.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(ccc3c1cc(c2ccccc2)n3)C
(2)InChI: InChI=1/C15H13N/c1-11-7-8-14-13(9-11)10-15(16-14)12-5-3-2-4-6-12/h2-10,16H,1H3
(3)InChIKey: JPFTUUXPCFNLIX-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C15H13N/c1-11-7-8-14-13(9-11)10-15(16-14)12-5-3-2-4-6-12/h2-10,16H,1H3
(5)Std. InChIKey: JPFTUUXPCFNLIX-UHFFFAOYSA-N