ChemSpider 2D Image | 2-(3-Iodophenoxy)-1-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone | C18H22INO3

2-(3-Iodophenoxy)-1-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone

  • Molecular FormulaC18H22INO3
  • Average mass427.277 Da
  • Monoisotopic mass427.064423 Da
  • ChemSpider ID31263196

More details:

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

2-(3-Iodophenoxy)-1-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone [ACD/IUPAC Name]
2-(3-Iodophénoxy)-1-[1-(3-méthoxypropyl)-2,5-diméthyl-1H-pyrrol-3-yl]éthanone [French] [ACD/IUPAC Name]
2-(3-Iodphenoxy)-1-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanon [German] [ACD/IUPAC Name]
Ethanone, 2-(3-iodophenoxy)-1-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrol-3-yl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 516.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 266.1±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 100.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 1025.13
ACD/KOC (pH 5.5): 4974.10
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1025.13
ACD/KOC (pH 7.4): 4974.10
Polar Surface Area: 40 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 40.0±7.0 dyne/cm
Molar Volume: 301.4±7.0 cm3

Click to predict properties on the Chemicalize site


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