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Basic Information
CAS No.: 26211-90-5
Name: (4-METHOXY-PHENYL)-(2-METHYL-1H-INDOL-3-YL)-METHANONE
Article Data: 12
Molecular Structure:
Molecular Structure of 26211-90-5 ((4-METHOXY-PHENYL)-(2-METHYL-1H-INDOL-3-YL)-METHANONE)
Formula: C17H15NO2
Molecular Weight: 265.312
Synonyms: Ketone,p-methoxyphenyl 2-methylindol-3-yl (8CI);
Density: 1.204g/cm3
Melting Point: 214-216 °C
Boiling Point: 445.869 °C at 760 mmHg
Flash Point: 223.454 °C
PSA: 42.09000
LogP: 3.71590
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Specification

The 2-Methyl-3-(4'-methoxybenzoyl)indole, with cas registry number 26211-90-5, belongs to the following product categories: Indole. It has the systematic name of (4-methoxyphenyl)(2-methyl-1H-indol-3-yl)methanone. Besides this, it is also called (4-methoxyphenyl)(2-methyl-1H-indol-3-yl)methanone.

Physical properties about this chemical are: (1)ACD/LogP: 4.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 330; (6)ACD/BCF (pH 7.4): 330; (7)ACD/KOC (pH 5.5): 2208; (8)ACD/KOC (pH 7.4): 2208; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 42.09 Å2; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 79.825 cm3; (15)Molar Volume: 220.264 cm3; (16)Polarizability: 31.645×10-24cm3; (17)Surface Tension: 49.641 dyne/cm; (18)Enthalpy of Vaporization: 70.393 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cc1)C(=O)c2c3ccccc3nc2C
(2)InChI: InChI=1/C17H15NO2/c1-11-16(14-5-3-4-6-15(14)18-11)17(19)12-7-9-13(20-2)10-8-12/h3-10,18H,1-2H3
(3)InChIKey: QZVJIIKWCINHPD-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C17H15NO2/c1-11-16(14-5-3-4-6-15(14)18-11)17(19)12-7-9-13(20-2)10-8-12/h3-10,18H,1-2H3
(5)Std. InChIKey: QZVJIIKWCINHPD-UHFFFAOYSA-N