3H-Indole,5-methoxy-2,3,3-trimethyl- (31241-19-7)

The 2,3,3-Trimethyl-5-methoxy-3H-indole, with CAS registry number 31241-19-7, has the systematic name of 5-methoxy-2,3,3-trimethyl-3H-indole. Besides this, it is also called 3H-indole, 5-methoxy-2,3,3-trimethyl-. And the chemical formula of this chemical is C₁₂H₁₅NO. Its molecular weight is 189.25.

Physical properties of 2,3,3-Trimethyl-5-methoxy-3H-indole: (1)ACD/LogP:  2.18; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  1; (4)ACD/LogD (pH 7.4):  2; (5)ACD/BCF (pH 5.5):  1; (6)ACD/BCF (pH 7.4):  10; (7)ACD/KOC (pH 5.5):  16; (8)ACD/KOC (pH 7.4):  170; (9)#H bond acceptors:  2; (10)#H bond donors:  0; (11)#Freely Rotating Bonds:  1; (12)Polar Surface Area:  21.59 Å²; (13)Index of Refraction:  1.539; (14)Molar Refractivity:  56.983 cm³; (15)Molar Volume:  181.796 cm³; (16)Polarizability:  22.59×10^-24cm³; (17)Surface Tension:  31.831 dyne/cm; (18)Enthalpy of Vaporization:  50.474 kJ/mol; (19)Vapour Pressure:  0.004 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc2c(cc1)\N=C(\C)C2(C)C
(2)InChI: InChI=1/C12H15NO/c1-8-12(2,3)10-7-9(14-4)5-6-11(10)13-8/h5-7H,1-4H3
(3)InChIKey: UOGHZHPESMATDD-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C12H15NO/c1-8-12(2,3)10-7-9(14-4)5-6-11(10)13-8/h5-7H,1-4H3
(5)Std. InChIKey: UOGHZHPESMATDD-UHFFFAOYSA-N