5-Hydroxy-2-methylindole

The IUPAC name of 5-Hydroxy-2-methylindole is -methyl-1H-indol-5-ol. With the CAS registry number 13314-85-7, it is also named as 1H-Indol-5-ol,2-methyl-. The product's categories are Indoles and Derivatives; Pharmacetical; Indoles. In addition, its molecular formula is C₉H₉NO and molecular weight is 147.18.

The other characteristics of this product can be summarized as: (1)EINECS: 236-345-0; (2)ACD/LogP: 1.43; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.43; (5)ACD/LogD (pH 7.4): 1.43; (6)ACD/BCF (pH 5.5): 7.19; (7)ACD/BCF (pH 7.4): 7.19; (8)ACD/KOC (pH 5.5): 142.89; (9)ACD/KOC (pH 7.4): 142.82; (10)#H bond acceptors: 2; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 1; (13)Polar Surface Area: 14.16 Å²; (14)Index of Refraction: 1.703; (15)Molar Refractivity: 45.23 cm³; (16)Molar Volume: 116.5 cm³; (17)Polarizability: 17.93×10^-24cm³; (18)Surface Tension: 59.2 dyne/cm; (19)Density: 1.262 g/cm³; (20)Flash Point: 162.4 °C; (21)Enthalpy of Vaporization: 61.21 kJ/mol; (22)Boiling Point: 344.8 °C at 760 mmHg; (23)Vapour Pressure: 3.21E-05 mmHg at 25 °C.

Preparation of 5-Hydroxy-2-methylindole: this chemical can be prepared by 5-Hydroxy-2-methyl-indole-3-carboxylic acid ethyl ester.



This reaction needs 20 percent aq. HCl by heating for 2.5 hours. The yield is 85 %.

People can use the following data to convert to the molecule structure.
(1)SMILES: Oc1cc2c(cc1)nc(c2)C
(2)InChI: InChI=1/C9H9NO/c1-6-4-7-5-8(11)2-3-9(7)10-6/h2-5,10-11H,1H3
(3)InChIKey: MDWJZBVEVLTXDE-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C9H9NO/c1-6-4-7-5-8(11)2-3-9(7)10-6/h2-5,10-11H,1H3
(5)Std. InChIKey: MDWJZBVEVLTXDE-UHFFFAOYSA-N