ChemSpider 2D Image | 1-[2,4-Dihydroxy-3-(2-hydroxybenzyl)-5-{2-hydroxy-5-[2-hydroxy-5-(2-hydroxybenzyl)benzyl]benzyl}-6-methoxyphenyl]-3-phenyl-1-propanone | C44H40O8

1-[2,4-Dihydroxy-3-(2-hydroxybenzyl)-5-{2-hydroxy-5-[2-hydroxy-5-(2-hydroxybenzyl)benzyl]benzyl}-6-methoxyphenyl]-3-phenyl-1-propanone

  • Molecular FormulaC44H40O8
  • Average mass696.784 Da
  • Monoisotopic mass696.272339 Da
  • ChemSpider ID24846071

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-[2,4-Dihydroxy-3-(2-hydroxybenzyl)-5-{2-hydroxy-5-[2-hydroxy-5-(2-hydroxybenzyl)benzyl]benzyl}-6-methoxyphenyl]-3-phenyl-1-propanon [German] [ACD/IUPAC Name]
1-[2,4-Dihydroxy-3-(2-hydroxybenzyl)-5-{2-hydroxy-5-[2-hydroxy-5-(2-hydroxybenzyl)benzyl]benzyl}-6-methoxyphenyl]-3-phenyl-1-propanone [ACD/IUPAC Name]
1-[2,4-Dihydroxy-3-(2-hydroxybenzyl)-5-{2-hydroxy-5-[2-hydroxy-5-(2-hydroxybenzyl)benzyl]benzyl}-6-méthoxyphényl]-3-phényl-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[2,4-dihydroxy-5-[[2-hydroxy-5-[[2-hydroxy-5-[(2-hydroxyphenyl)methyl]phenyl]methyl]phenyl]methyl]-3-[(2-hydroxyphenyl)methyl]-6-methoxyphenyl]-3-phenyl- [ACD/Index Name]
2',4'-Dihydroxy-6'-methoxy-3'-(2-hydroxybenzyl)-5'-(3 x 2-hydroxybenzyl)dihydrochalcone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 921.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.6±3.0 kJ/mol
Flash Point: 282.0±27.8 °C
Index of Refraction: 1.681
Molar Refractivity: 200.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 9.37
ACD/LogD (pH 5.5): 8.56
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1068701.13
ACD/LogD (pH 7.4): 8.27
ACD/BCF (pH 7.4): 958201.31
ACD/KOC (pH 7.4): 548680.88
Polar Surface Area: 148 Å2
Polarizability: 79.5±0.5 10-24cm3
Surface Tension: 63.2±3.0 dyne/cm
Molar Volume: 530.4±3.0 cm3

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