ChemSpider 2D Image | [4-(Benzyloxy)-3-methylphenyl]{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(3-phenoxyphenyl)-3-pyrrolidinylidene}methanolate | C38H38N2O6

[4-(Benzyloxy)-3-methylphenyl]{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(3-phenoxyphenyl)-3-pyrrolidinylidene}methanolate

  • Molecular FormulaC38H38N2O6
  • Average mass618.718 Da
  • Monoisotopic mass618.273010 Da
  • ChemSpider ID2817682

More details:

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

[4-(Benzyloxy)-3-methylphenyl]{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(3-phenoxyphenyl)-3-pyrrolidinyliden}methanolat [German] [ACD/IUPAC Name]
[4-(Benzyloxy)-3-methylphenyl]{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(3-phenoxyphenyl)-3-pyrrolidinylidene}methanolate [ACD/IUPAC Name]
[4-(Benzyloxy)-3-méthylphényl]{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(3-phénoxyphényl)-3-pyrrolidinylidène}méthanolate [French] [ACD/IUPAC Name]
Morpholinium, 4-[3-[3-[hydroxy[3-methyl-4-(phenylmethoxy)phenyl]methylene]-4,5-dioxo-2-(3-phenoxyphenyl)-1-pyrrolidinyl]propyl]-, inner salt [ACD/Index Name]

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

Density:
Boiling Point: 780.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.1±3.0 kJ/mol
Flash Point: 425.9±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.09
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 135.41
ACD/KOC (pH 5.5): 420.99
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 2755.94
ACD/KOC (pH 7.4): 8568.28
Polar Surface Area: 93 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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