Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Methyl-3-(4'-methoxybenzoyl)indole |
EINECS | N/A |
CAS No. | 26211-90-5 | Density | 1.204g/cm3 |
PSA | 42.09000 | LogP | 3.71590 |
Solubility | N/A | Melting Point |
214-216 °C |
Formula | C17H15NO2 | Boiling Point | 445.869 °C at 760 mmHg |
Molecular Weight | 265.312 | Flash Point | 223.454 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Ketone,p-methoxyphenyl 2-methylindol-3-yl (8CI); |
Article Data | 12 |
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