The 7,4'-Dimethoxyflavone, with the CAS registry number 20979-50-4, is also known as 4',7-Dimethoxyflavone. It belongs to the product category of Di-substituted Flavones. This chemical's molecular formula is C17H14O4 and molecular weight is 282.29. What's more, its systematic name is 7-methoxy-2-(4-methoxyphenyl)chromen-4-one.
Physical properties of 7,4'-Dimethoxyflavone are: (1)ACD/LogP: 3.388; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.39; (4)ACD/LogD (pH 7.4): 3.39; (5)ACD/BCF (pH 5.5): 221.11; (6)ACD/BCF (pH 7.4): 221.11; (7)ACD/KOC (pH 5.5): 1659.10; (8)ACD/KOC (pH 7.4): 1659.10; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 77.564 cm3; (15)Molar Volume: 227.278 cm3; (16)Polarizability: 30.749×10-24cm3; (17)Surface Tension: 46.34 dyne/cm; (18)Density: 1.242 g/cm3; (19)Flash Point: 202.222 °C; (20)Enthalpy of Vaporization: 71.205 kJ/mol; (21)Boiling Point: 452.764 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cc1)C\2=C\C(=O)c3ccc(cc3O/2)OC
(2)Std. InChI: InChI=1S/C17H14O4/c1-19-12-5-3-11(4-6-12)16-10-15(18)14-8-7-13(20-2)9-17(14)21-16/h3-10H,1-2H3
(3)Std. InChIKey: LGTXUFBDCDFQIU-UHFFFAOYSA-N
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