ChemSpider 2D Image | 4-[3-(3-Ethoxy-4-methoxyphenyl)-4-hydroxy-5-oxo-1-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-2-yl]phenyl acetate | C30H31NO9

4-[3-(3-Ethoxy-4-methoxyphenyl)-4-hydroxy-5-oxo-1-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-2-yl]phenyl acetate

  • Molecular FormulaC30H31NO9
  • Average mass549.568 Da
  • Monoisotopic mass549.199890 Da
  • ChemSpider ID60008088

More details:

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

2H-Pyrrol-2-one, 5-[4-(acetyloxy)phenyl]-4-(3-ethoxy-4-methoxyphenyl)-1,5-dihydro-3-hydroxy-1-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
4-[3-(3-Ethoxy-4-methoxyphenyl)-4-hydroxy-5-oxo-1-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-2-yl]phenyl acetate [ACD/IUPAC Name]
4-[3-(3-Ethoxy-4-methoxyphenyl)-4-hydroxy-5-oxo-1-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-2-yl]phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-[3-(3-éthoxy-4-méthoxyphényl)-4-hydroxy-5-oxo-1-(3,4,5-triméthoxyphényl)-2,5-dihydro-1H-pyrrol-2-yl]phényle [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: 695.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 374.3±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 146.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.73
ACD/KOC (pH 5.5): 703.77
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 64.87
ACD/KOC (pH 7.4): 684.14
Polar Surface Area: 113 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 429.2±3.0 cm3

Click to predict properties on the Chemicalize site


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