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Search term: MF = 'C_{29}H_{28}ClNO_{7}'

ChemSpider 2D Image | 4-[1-(5-Chloro-2-methoxyphenyl)-3-(3-ethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-ethoxyphenyl acetate | C29H28ClNO7

4-[1-(5-Chloro-2-methoxyphenyl)-3-(3-ethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-ethoxyphenyl acetate

  • Molecular FormulaC29H28ClNO7
  • Average mass537.988 Da
  • Monoisotopic mass537.155457 Da
  • ChemSpider ID60253070

More details:






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

2H-Pyrrol-2-one, 5-[4-(acetyloxy)-3-ethoxyphenyl]-1-(5-chloro-2-methoxyphenyl)-4-(3-ethoxyphenyl)-1,5-dihydro-3-hydroxy- [ACD/Index Name]
4-[1-(5-Chlor-2-methoxyphenyl)-3-(3-ethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-ethoxyphenyl-acetat [German] [ACD/IUPAC Name]
4-[1-(5-Chloro-2-methoxyphenyl)-3-(3-ethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-ethoxyphenyl acetate [ACD/IUPAC Name]
Acétate de 4-[1-(5-chloro-2-méthoxyphényl)-3-(3-éthoxyphényl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-éthoxyphényle [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: 657.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 351.5±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 142.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3942.91
ACD/KOC (pH 5.5): 13044.59
ACD/LogD (pH 7.4): 5.02
ACD/BCF (pH 7.4): 3824.22
ACD/KOC (pH 7.4): 12651.93
Polar Surface Area: 95 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 409.7±3.0 cm3

Click to predict properties on the Chemicalize site






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