ChemSpider 2D Image | 5-[4-(Allyloxy)-3-ethoxyphenyl]-3-hydroxy-4-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-1-(2-methoxyethyl)-1,5-dihydro-2H-pyrrol-2-one | C28H29NO8

5-[4-(Allyloxy)-3-ethoxyphenyl]-3-hydroxy-4-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-1-(2-methoxyethyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC28H29NO8
  • Average mass507.532 Da
  • Monoisotopic mass507.189331 Da
  • ChemSpider ID4051099

More details:

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

2H-Pyrrol-2-one, 5-[3-ethoxy-4-(2-propen-1-yloxy)phenyl]-1,5-dihydro-3-hydroxy-4-[(7-methoxy-2-benzofuranyl)carbonyl]-1-(2-methoxyethyl)- [ACD/Index Name]
5-[4-(Allyloxy)-3-ethoxyphenyl]-3-hydroxy-4-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-1-(2-methoxyethyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
5-[4-(Allyloxy)-3-ethoxyphenyl]-3-hydroxy-4-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-1-(2-methoxyethyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
5-[4-(Allyloxy)-3-éthoxyphényl]-3-hydroxy-4-[(7-méthoxy-1-benzofuran-2-yl)carbonyl]-1-(2-méthoxyéthyl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC 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: 681.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 365.9±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 136.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 11.56
ACD/KOC (pH 5.5): 101.58
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.75
Polar Surface Area: 108 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 397.7±3.0 cm3

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