3',4',7-TRIMETHOXYFLAVONE

The 4H-1-Benzopyran-4-one, 2-(3, 4-dimethoxyphenyl)-7-methoxy-, with the CAS registry number of 22395-24-0, is also known as 2-(3,4-Dimethoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one. It belongs to the product category of Tri-substituted Flavones. This chemical's molecular formula is C₁₈H₁₆O₅ and molecular weight is 312.32. What's more, its IUPAC name is 2-(3,4-Dimethoxyphenyl)-7-methoxychromen-4-one. 

Physical properties about 4H-1-Benzopyran-4-one, 2-(3, 4-dimethoxyphenyl)-7-methoxy- are: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.56; (4)ACD/LogD (pH 7.4): 3.56; (5)ACD/BCF (pH 5.5): 299.03; (6)ACD/BCF (pH 7.4): 299.03; (7)ACD/KOC (pH 5.5): 2059.32; (8)ACD/KOC (pH 7.4): 2059.32; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 53.99 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 84.24 cm³; (15)Molar Volume: 251.2 cm³; (16)Polarizability: 33.39×10^-24 cm³; (17)Surface Tension: 45.2 dyne/cm; (18)Density: 1.242 g/cm³; (19)Flash Point: 212 °C; (20)Enthalpy of Vaporization: 74.13 kJ/mol; (21)Boiling Point: 477.4 °C at 760 mmHg; (22)Vapour Pressure: 2.81E-09 mmHg at 25 °C.

Preparation of 4H-1-Benzopyran-4-one,2-(3,4-dimethoxyphenyl)-7-methoxy-: this chemical can be obtained by O-Trimethyl-(+-)-butin by heating. The reaction needs reagent DDQ and solvent Benzene. Meanwhile, the reaction time is 24 hours. The yield is 70%.

You can still convert the following data into molecular structure:
(1) SMILES: O=C\1c3c(O/C(=C/1)c2ccc(OC)c(OC)c2)cc(OC)cc3
(2) InChI: InChI=1/C18H16O5/c1-20-12-5-6-13-14(19)10-16(23-17(13)9-12)11-4-7-15(21-2)18(8-11)22-3/h4-10H,1-3H3
(3) InChIKey: VSFZYCDPDWSYSS-UHFFFAOYAP