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

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

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

  • Molecular FormulaC29H28ClNO7
  • Average mass537.988 Da
  • Monoisotopic mass537.155457 Da
  • ChemSpider ID60252170

More details:






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

2H-Pyrrol-2-one, 5-[4-(acetyloxy)phenyl]-4-(3-chloro-4,5-diethoxyphenyl)-1,5-dihydro-3-hydroxy-1-(2-methoxyphenyl)- [ACD/Index Name]
4-[3-(3-Chlor-4,5-diethoxyphenyl)-4-hydroxy-1-(2-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]phenyl-acetat [German] [ACD/IUPAC Name]
4-[3-(3-Chloro-4,5-diethoxyphenyl)-4-hydroxy-1-(2-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]phenyl acetate [ACD/IUPAC Name]
Acétate de 4-[3-(3-chloro-4,5-diéthoxyphényl)-4-hydroxy-1-(2-méthoxyphényl)-5-oxo-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: 662.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 354.4±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: 5.77
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3259.58
ACD/KOC (pH 5.5): 11382.66
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3117.93
ACD/KOC (pH 7.4): 10888.04
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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