7-METHOXYFLAVONE

The 4H-1-Benzopyran-4-one,7-methoxy-2-phenyl-, with the CAS registry number of 22395-22-8, is also known as 7-Methoxy-2-phenyl-4H-chromen-4-one. It belongs to the product categories of Mono-substituted Flavones; Biochemistry; Flavonoids; Benzopyrans; Building Blocks; Heterocyclic Building Blocks. This chemical's molecular formula is C₁₆H₁₂O₃ and molecular weight is 252.26. What's more, its IUPAC name is 7-Methoxy-2-phenylchromen-4-one.

Physical properties about the 4H-1-Benzopyran-4-one,7-methoxy-2-phenyl- are: (1)ACD/LogP: 3.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.47; (4)ACD/LogD (pH 7.4): 3.47; (5)ACD/BCF (pH 5.5): 255.58; (6)ACD/BCF (pH 7.4): 255.58; (7)ACD/KOC (pH 5.5): 1840.4; (8)ACD/KOC (pH 7.4): 1840.4; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 70.88 cm³; (15)Molar Volume: 203.2 cm³; (16)Surface Tension: 47.7 dyne/cm; (17)Density: 1.24 g/cm³; (18)Flash Point: 200.3 °C; (19)Enthalpy of Vaporization: 67.51 kJ/mol; (20)Boiling Point: 421.2 °C at 760 mmHg; (21)Vapour Pressure: 2.66E-07 mmHg at 25 °C.

Preparation: this chemical is prepared by 1-(2-Hydroxy-4-methoxy-phenyl)-3-phenyl-propane-1,3-dione. The reaction needs reagent Amberlist 15 resin and solvent Propan-2-ol. The reaction time is 8.5 h. The yield is about 80 %.



Uses: it is used to produce other chemicals. For example, it is used to produce 8-Bromomethyl-7-methoxy-2-phenyl-chromen-4-one. This reaction needs reagent HBr. Meanwhile, it needs solvent Acetic acid. The reaction time is 4 h with reaction temperature of 80 - 90 °C. The yield is about 62 %.



You can still convert the following datas into molecular structure:
(1) SMILES: COc1ccc2c(c1)O/C(=C\C2=O)c3ccccc3
(2) InChI: InChI=1/C16H12O3/c1-18-12-7-8-13-14(17)10-15(19-16(13)9-12)11-5-3-2-4-6-11/h2-10H,1H3
(3) InChIKey: QKNDCRMJDZLFEG-UHFFFAOYAD