ChemSpider 2D Image | 1-Benzyl-4-[3-(benzyloxy)-4-methoxyphenyl]-3-methyl-4,6,7,8-tetrahydrochromeno[2,3-c]pyrazol-5(1H)-one | C32H30N2O4

1-Benzyl-4-[3-(benzyloxy)-4-methoxyphenyl]-3-methyl-4,6,7,8-tetrahydrochromeno[2,3-c]pyrazol-5(1H)-one

  • Molecular FormulaC32H30N2O4
  • Average mass506.592 Da
  • Monoisotopic mass506.220551 Da
  • ChemSpider ID21837366

More details:

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

[1]Benzopyrano[2,3-c]pyrazol-5(1H)-one, 4,6,7,8-tetrahydro-4-[4-methoxy-3-(phenylmethoxy)phenyl]-3-methyl-1-(phenylmethyl)- [ACD/Index Name]
1-Benzyl-4-[3-(benzyloxy)-4-methoxyphenyl]-3-methyl-4,6,7,8-tetrahydrochromeno[2,3-c]pyrazol-5(1H)-on [German] [ACD/IUPAC Name]
1-Benzyl-4-[3-(benzyloxy)-4-methoxyphenyl]-3-methyl-4,6,7,8-tetrahydrochromeno[2,3-c]pyrazol-5(1H)-one [ACD/IUPAC Name]
1-Benzyl-4-[3-(benzyloxy)-4-méthoxyphényl]-3-méthyl-4,6,7,8-tétrahydrochroméno[2,3-c]pyrazol-5(1H)-one [French] [ACD/IUPAC Name]
1-Benzyl-4-(3-benzyloxy-4-methoxy-phenyl)-3-methyl-4,6,7,8-tetrahydro-1H-chromeno[2,3-c]pyrazol-5-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 674.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 361.8±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 146.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 5.78
ACD/BCF (pH 5.5): 14521.23
ACD/KOC (pH 5.5): 33166.16
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14527.61
ACD/KOC (pH 7.4): 33180.73
Polar Surface Area: 63 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 406.4±7.0 cm3

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