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

Methyl 4-[3-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-5-oxo-1-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate

  • Molecular FormulaC30H31NO9
  • Average mass549.568 Da
  • Monoisotopic mass549.199890 Da
  • ChemSpider ID60008085

More details:

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

4-[3-(3-Éthoxy-4-méthoxyphényl)-4-hydroxy-5-oxo-1-(3,4,5-triméthoxyphényl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[3-(3-ethoxy-4-methoxyphenyl)-2,5-dihydro-4-hydroxy-5-oxo-1-(3,4,5-trimethoxyphenyl)-1H-pyrrol-2-yl]-, methyl ester [ACD/Index Name]
Methyl 4-[3-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-5-oxo-1-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate [ACD/IUPAC Name]
Methyl-4-[3-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-5-oxo-1-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-2-yl]benzoat [German] [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: 698.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 376.1±31.5 °C
Index of Refraction: 1.598
Molar Refractivity: 146.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 123.74
ACD/KOC (pH 5.5): 1094.93
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 119.93
ACD/KOC (pH 7.4): 1061.21
Polar Surface Area: 113 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 429.5±3.0 cm3

Click to predict properties on the Chemicalize site


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