ChemSpider 2D Image | 4-[4-(Allyloxy)-2-methylbenzoyl]-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one | C31H32N2O5

4-[4-(Allyloxy)-2-methylbenzoyl]-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC31H32N2O5
  • Average mass512.596 Da
  • Monoisotopic mass512.231140 Da
  • ChemSpider ID12276445

More details:

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

2H-Pyrrol-2-one, 1-[2-(dimethylamino)ethyl]-1,5-dihydro-3-hydroxy-4-[2-methyl-4-(2-propen-1-yloxy)benzoyl]-5-(3-phenoxyphenyl)- [ACD/Index Name]
4-[4-(Allyloxy)-2-methylbenzoyl]-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
4-[4-(Allyloxy)-2-methylbenzoyl]-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
4-[4-(Allyloxy)-2-méthylbenzoyl]-1-[2-(diméthylamino)éthyl]-3-hydroxy-5-(3-phénoxyphényl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
1-[2-(dimethylamino)ethyl]-3-hydroxy-4-[(2-methyl-4-prop-2-enyloxyphenyl)carbonyl]-5-(3-phenoxyphenyl)-3-pyrrolin-2-one
1-[2-(dimethylamino)ethyl]-3-hydroxy-4-[2-methyl-4-(prop-2-en-1-yloxy)benzoyl]-5-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
1-[2-(dimethylamino)ethyl]-3-hydroxy-4-{[2-methyl-4-(prop-2-en-1-yloxy)phenyl]carbonyl}-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
4-(4-(allyloxy)-2-methylbenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(3-phenoxyphenyl)-1H-pyrrol-2(5H)-one
879849-30-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 697.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 375.7±31.5 °C
Index of Refraction: 1.614
Molar Refractivity: 146.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 6.60
ACD/KOC (pH 5.5): 25.73
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 6.89
ACD/KOC (pH 7.4): 26.86
Polar Surface Area: 79 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 420.5±3.0 cm3

Click to predict properties on the Chemicalize site


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