ChemSpider 2D Image | 2-[3,5-Bis(benzyloxy)phenyl]-7-[2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]-4H-chromen-4-one | C42H40N2O6

2-[3,5-Bis(benzyloxy)phenyl]-7-[2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]-4H-chromen-4-one

  • Molecular FormulaC42H40N2O6
  • Average mass668.777 Da
  • Monoisotopic mass668.288635 Da
  • ChemSpider ID9767502

More details:

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

2-[3,5-Bis(benzyloxy)phenyl]-7-[2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-[3,5-Bis(benzyloxy)phenyl]-7-[2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]-4H-chromen-4-one [ACD/IUPAC Name]
2-[3,5-Bis(benzyloxy)phényl]-7-[2-hydroxy-3-(4-phényl-1-pipérazinyl)propoxy]-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[3,5-bis(phenylmethoxy)phenyl]-7-[2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 854.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.2±3.0 kJ/mol
Flash Point: 470.7±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 192.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.93
ACD/LogD (pH 5.5): 5.69
ACD/BCF (pH 5.5): 6450.58
ACD/KOC (pH 5.5): 8612.09
ACD/LogD (pH 7.4): 6.79
ACD/BCF (pH 7.4): 81515.93
ACD/KOC (pH 7.4): 108830.90
Polar Surface Area: 81 Å2
Polarizability: 76.1±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 532.4±3.0 cm3

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