ChemSpider 2D Image | 4-[4-(Allyloxy)-3-methylbenzoyl]-3-hydroxy-5-[4-(2-methyl-2-propanyl)phenyl]-1-[2-(4-morpholinyl)ethyl]-1,5-dihydro-2H-pyrrol-2-one | C31H38N2O5

4-[4-(Allyloxy)-3-methylbenzoyl]-3-hydroxy-5-[4-(2-methyl-2-propanyl)phenyl]-1-[2-(4-morpholinyl)ethyl]-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC31H38N2O5
  • Average mass518.644 Da
  • Monoisotopic mass518.278076 Da
  • ChemSpider ID20204154

More details:

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

2H-Pyrrol-2-one, 5-[4-(1,1-dimethylethyl)phenyl]-1,5-dihydro-3-hydroxy-4-[3-methyl-4-(2-propen-1-yloxy)benzoyl]-1-[2-(4-morpholinyl)ethyl]- [ACD/Index Name]
4-[4-(Allyloxy)-3-methylbenzoyl]-3-hydroxy-5-[4-(2-methyl-2-propanyl)phenyl]-1-[2-(4-morpholinyl)ethyl]-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
4-[4-(Allyloxy)-3-methylbenzoyl]-3-hydroxy-5-[4-(2-methyl-2-propanyl)phenyl]-1-[2-(4-morpholinyl)ethyl]-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
4-[4-(Allyloxy)-3-méthylbenzoyl]-3-hydroxy-5-[4-(2-méthyl-2-propanyl)phényl]-1-[2-(4-morpholinyl)éthyl]-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
5-(4-TERT-BUTYLPHENYL)-3-HYDROXY-4-[3-METHYL-4-(PROP-2-EN-1-YLOXY)BENZOYL]-1-[2-(MORPHOLIN-4-YL)ETHYL]-5H-PYRROL-2-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: 704.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 380.1±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 147.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 16.81
ACD/KOC (pH 5.5): 67.15
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 3.72
ACD/KOC (pH 7.4): 14.87
Polar Surface Area: 79 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 441.0±3.0 cm3

Click to predict properties on the Chemicalize site


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