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CAS No.: | 15485-66-2 |
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Name: | 1-(2,4,6-Trihydroxyphenyl)-2-(4-methoxyphenyl)ethanone |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C15H14O5 |
Molecular Weight: | 274.273 |
Synonyms: | Acetophenone,2',4',6'-trihydroxy-2-(p-methoxyphenyl)- (7CI,8CI);Phloroacetophenone,2-(p-methoxyphenyl)- (6CI);2,4,6-Trihydroxy-4'-methoxydeoxybenzoin;NSC 76058;a-(4-Methoxyphenyl)-2,4,6-trihydroxyacetophenone; |
Density: | 1.364 g/cm3 |
Melting Point: | 192-193 °C |
Boiling Point: | 475.7 °C at 760 mmHg |
Flash Point: | 180.1 °C |
Appearance: | Colorless to light yellow crystal |
PSA: | 86.99000 |
LogP: | 2.23740 |
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The 1-(2,4,6-Trihydroxyphenyl)-2-(4-methoxyphenyl)ethanone is an organic compound with the formula C15H14O5. The IUPAC name of this chemical is 2-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone. With the CAS registry number 15485-66-2, it is also named as ethanone, 2-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)-.
Physical properties about 1-(2,4,6-Trihydroxyphenyl)-2-(4-methoxyphenyl)ethanone are: (1)ACD/LogP: 3.50; (2)#H bond acceptors: 5; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 7; (5)Polar Surface Area: 53.99 Å2; (6)Index of Refraction: 1.647; (7)Molar Refractivity: 73.09 cm3; (8)Molar Volume: 200.9 cm3; (9)Polarizability: 28.97×10-24cm3; (10)Surface Tension: 63 dyne/cm; (11)Density: 1.364 g/cm3; (12)Flash Point: 180.1 °C; (13)Enthalpy of Vaporization: 76.75 kJ/mol; (14)Boiling Point: 475.7 °C at 760 mmHg; (15)Vapour Pressure: 1.13E-09 mmHg at 25°C.
Preparation: this chemical can be prepared by (4-methoxy-phenyl)-acetonitrile and benzene-1,3,5-triol. This reaction will need reagent HCl gas and solvent diethyl ether. The reaction time is 24 hours. The yield is about 47%.
Uses of 1-(2,4,6-Trihydroxyphenyl)-2-(4-methoxyphenyl)ethanone: it can be used to produce 2-hydroxy-4,6,4'-trimethoxy-deoxybenzoin at temperature of 0 °C. It will need solvent methanol, diethyl ether. The yield is about 80%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(O)cc(O)cc1O)Cc2ccc(OC)cc2
(2)InChI: InChI=1/C15H14O5/c1-20-11-4-2-9(3-5-11)6-12(17)15-13(18)7-10(16)8-14(15)19/h2-5,7-8,16,18-19H,6H2,1H3
(3)InChIKey: KYODHQXYXKDRTF-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C15H14O5/c1-20-11-4-2-9(3-5-11)6-12(17)15-13(18)7-10(16)8-14(15)19/h2-5,7-8,16,18-19H,6H2,1H3
(5)Std. InChIKey: KYODHQXYXKDRTF-UHFFFAOYSA-N