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79559-61-8

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Basic Information
CAS No.: 79559-61-8
Name: 5-HYDROXY-7-(4''-HYDROXY-3''-METHOXYPHENYL)-1-PHENYL-3-HEPTANONE
Article Data: 1
Molecular Structure:
Molecular Structure of 79559-61-8 (5-HYDROXY-7-(4''-HYDROXY-3''-METHOXYPHENYL)-1-PHENYL-3-HEPTANONE)
Formula: C20H24 O4
Molecular Weight: 328.408
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;
Density: 1.16 g/cm3
Boiling Point: 552.1 °C at 760 mmHg
Flash Point: 196.1 °C
PSA: 66.76000
LogP: 3.28630
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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.