ChemSpider 2D Image | 1-(6,8-Dihydroxy-3-methyl-2,5-dihydro-1-benzoxepin-7-yl)-3-phenyl-1-propanone | C20H20O4

1-(6,8-Dihydroxy-3-methyl-2,5-dihydro-1-benzoxepin-7-yl)-3-phenyl-1-propanone

  • Molecular FormulaC20H20O4
  • Average mass324.370 Da
  • Monoisotopic mass324.136169 Da
  • ChemSpider ID24846082

More details:

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

1-(6,8-Dihydroxy-3-methyl-2,5-dihydro-1-benzoxepin-7-yl)-3-phenyl-1-propanon [German] [ACD/IUPAC Name]
1-(6,8-Dihydroxy-3-methyl-2,5-dihydro-1-benzoxepin-7-yl)-3-phenyl-1-propanone [ACD/IUPAC Name]
1-(6,8-Dihydroxy-3-méthyl-2,5-dihydro-1-benzoxépin-7-yl)-3-phényl-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl- [ACD/Index Name]
1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 530.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 191.0±23.6 °C
Index of Refraction: 1.619
Molar Refractivity: 91.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.24
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 6978.31
ACD/KOC (pH 5.5): 19481.95
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2172.49
ACD/KOC (pH 7.4): 6065.13
Polar Surface Area: 67 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 261.9±3.0 cm3

Click to predict properties on the Chemicalize site


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