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Cas Database |
| Name |
5-Hydroxy-7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-3-heptanone |
EINECS | N/A |
| CAS No. | 79559-61-8 | Density | 1.16 g/cm3 |
| PSA | 66.76000 | LogP | 3.28630 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C20H24 O4 | Boiling Point | 552.1 °C at 760 mmHg |
| Molecular Weight | 328.408 | Flash Point | 196.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
(?à)-5-Hydroxy-7-(4'-hydroxy-3'-methoxyphenyl)-1-phenyl-3-hepatanone;5-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone;5-Hydroxy-7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-3-heptanone; |
Article Data | 1 |
5-Hydroxy-7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-3-heptanone Specification
The 5-Hydroxy-7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-3-heptanone with cas registry number of 79559-61-8, is also called (?à)-5-Hydroxy-7-(4'-hydroxy-3'-methoxyphenyl)-1-phenyl-3-hepatanone ; 5-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone ; 5-Hydroxy-7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-3-heptanone .
Physical properties of 5-Hydroxy-7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-3-heptanone : (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 2.52; (5)ACD/BCF (pH 5.5): 48.64; (6)ACD/BCF (pH 7.4): 48.55; (7)ACD/KOC (pH 5.5): 561.26; (8)ACD/KOC (pH 7.4): 560.21; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 93.53 cm3; (15)Molar Volume: 282.9 cm3; (16)Polarizability: 37.08×10-24cm3; (17)Surface Tension: 48.2 dyne/cm; (18)Enthalpy of Vaporization: 87.61 kJ/mol; (19)Vapour Pressure: 5.05E-13 mmHg at 25°C .
You can still convert the following datas into molecular structure: (1)SMILES:O=C(CCc1ccccc1)CC(O)CCc2cc(OC)c(O)cc2; (2)InChI:InChI=1/C20H24O4/c1-24-20-13-16(9-12-19(20)23)8-11-18(22)14-17(21)10-7-15-5-3-2-4-6-15/h2-6,9,12-13,18,22-23H,7-8,10-11,14H2,1H3; (3)InChIKey:JHJPDDBIHSFERA-UHFFFAOYAF; (4)Std. InChI:InChI=1S/C20H24O4/c1-24-20-13-16(9-12-19(20)23)8-11-18(22)14-17(21)10-7-15-5-3-2-4-6-15/h2-6,9,12-13,18,22-23H,7-8,10-11,14H2,1H3; (5)Std. InChIKey:JHJPDDBIHSFERA-UHFFFAOYSA-N.
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