ChemSpider 2D Image | 3-[2-(3-Iodophenyl)-2-oxoethyl]-6,7-dimethoxy-2-benzofuran-1(3H)-one | C18H15IO5

3-[2-(3-Iodophenyl)-2-oxoethyl]-6,7-dimethoxy-2-benzofuran-1(3H)-one

  • Molecular FormulaC18H15IO5
  • Average mass438.213 Da
  • Monoisotopic mass437.996399 Da
  • ChemSpider ID59755188

More details:

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

1(3H)-Isobenzofuranone, 3-[2-(3-iodophenyl)-2-oxoethyl]-6,7-dimethoxy- [ACD/Index Name]
3-[2-(3-Iodophenyl)-2-oxoethyl]-6,7-dimethoxy-2-benzofuran-1(3H)-one [ACD/IUPAC Name]
3-[2-(3-Iodophényl)-2-oxoéthyl]-6,7-diméthoxy-2-benzofuran-1(3H)-one [French] [ACD/IUPAC Name]
3-[2-(3-Iodphenyl)-2-oxoethyl]-6,7-dimethoxy-2-benzofuran-1(3H)-on [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 584.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 307.1±30.1 °C
Index of Refraction: 1.621
Molar Refractivity: 96.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 227.35
ACD/KOC (pH 5.5): 1692.50
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 227.35
ACD/KOC (pH 7.4): 1692.50
Polar Surface Area: 62 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 273.1±3.0 cm3

Click to predict properties on the Chemicalize site


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