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| CAS No.: | 93609-84-8 |
|---|---|
| Name: | 5-Acetyl-8-(phenylmethoxy)-2-quinolinone |
| Article Data: | 19 |
| Molecular Structure: | |
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| Formula: | C18H15NO3 |
| Molecular Weight: | 293.322 |
| Synonyms: | 1-[8-(Benzyloxy)-2-hydroxyquinolin-5-yl]ethanone; |
| EINECS: | 618-957-3 |
| Density: | 1.231 g/cm3 |
| Melting Point: | 174-176 °C |
| Boiling Point: | 569.179 °C at 760 mmHg |
| Flash Point: | 298.029 °C |
| PSA: | 59.42000 |
| LogP: | 3.72200 |
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Specification
The 5-Acetyl-8-(phenylmethoxy)-2-quinolinone, with the CAS registry number 93609-84-8, is also known as 1-[8-(Benzyloxy)-2-hydroxyquinolin-5-yl]ethanone. It belongs to the product categories of Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C18H15NO3 and molecular weight is 293.00. What's more, its systematic name is called 5-Acetyl-8-(benzyloxy)-2(1H)-quinolinone.
Physical properties about 5-Acetyl-8-(phenylmethoxy)-2-quinolinone are: (1)ACD/LogP: 2.829; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.83; (4)ACD/LogD (pH 7.4): 2.83; (5)ACD/BCF (pH 5.5): 83.20; (6)ACD/BCF (pH 7.4): 83.14; (7)ACD/KOC (pH 5.5): 824.17; (8)ACD/KOC (pH 7.4): 823.57; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.4 Å2; (13)Index of Refraction: 1.611; (14) Molar Refractivity: 82.703 cm3; (15)Molar Volume: 238.321 cm3; (16)Polarizability: 32.786×10-24cm3; (17)Surface Tension: 48.690 dyne/cm; (18)Density: 1.231 g/cm3; (19)Flash Point: 298.029 °C; (20)Enthalpy of Vaporization: 85.4 kJ/mol; (21)Boiling Point: 569.179 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)c3ccc(OCc1ccccc1)c2NC(=O)\C=C/c23
(2) InChI: InChI=1S/C18H15NO3/c1-12(20)14-7-9-16(18-15(14)8-10-17(21)19-18)22-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,21)
(3) InChIKey: MVYPGJMOODJFAZ-UHFFFAOYSA-N