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| CAS No.: | 18065-05-9 |
|---|---|
| Name: | 1-(2,4-bis (benzyloxy)-6-hydroxyphenyl) ethanone |
| Article Data: | 47 |
| Molecular Structure: | |
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| Formula: | C22H20O4 |
| Molecular Weight: | 348.398 |
| Synonyms: | 1-(2,4-bis (benzyloxy)-6-hydroxyphenyl) ethanone;2-Acetyl-3,5-bis(benzyloxy)phenol |
| Density: | 1.206 g/cm3 |
| Melting Point: | 108-109 °C(Solv: methanol (67-56-1)) |
| Boiling Point: | 550.4 °C at 760 mmHg |
| Flash Point: | 194.4 °C |
| PSA: | 55.76000 |
| LogP: | 4.75280 |
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Specification
This chemical is called 1-(2,4-Bis(benzyloxy)-6-hydroxyphenyl)ethanone, and its CAS registry number is 18065-05-9. With the molecular formula of C22H20O4, its molecular weight is 348.39.
Other characteristics of the 1-(2,4-Bis(benzyloxy)-6-hydroxyphenyl)ethanone can be summarised as followings: (1)ACD/LogP: 5.68; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 44.76 Å2; (7)Index of Refraction: 1.612; (8)Molar Refractivity: 100.49 cm3; (9)Molar Volume: 288.8 cm3; (10)Polarizability: 39.83×10-24cm3; (11)Surface Tension: 49.2 dyne/cm; (12)Density: 1.206 g/cm3; (13)Flash Point: 194.4 °C; (14)Enthalpy of Vaporization: 86.15 kJ/mol; (15)Boiling Point: 550.4 °C at 760 mmHg; (16)Vapour Pressure: 1E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(c3c(O)cc(OCc1ccccc1)cc3OCc2ccccc2)C
2.InChI: InChI=1/C22H20O4/c1-16(23)22-20(24)12-19(25-14-17-8-4-2-5-9-17)13-21(22)26-15-18-10-6-3-7-11-18/h2-13,24H,14-15H2,1H3
3.InChIKey: HEHTYXOPJQUNOF-UHFFFAOYAN