ChemSpider 2D Image | 2-Iodo-6-methoxy-4-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]phenyl benzoate | C18H15IO5

2-Iodo-6-methoxy-4-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]phenyl benzoate

  • Molecular FormulaC18H15IO5
  • Average mass438.213 Da
  • Monoisotopic mass437.996399 Da
  • ChemSpider ID44268930

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Iod-6-methoxy-4-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]phenyl-benzoat [German] [ACD/IUPAC Name]
2-Iodo-6-methoxy-4-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]phenyl benzoate [ACD/IUPAC Name]
2-Propenoic acid, 3-[4-(benzoyloxy)-3-iodo-5-methoxyphenyl]-, methyl ester, (2E)- [ACD/Index Name]
Benzoate de 2-iodo-6-méthoxy-4-[(1E)-3-méthoxy-3-oxo-1-propén-1-yl]phényle [French] [ACD/IUPAC Name]
2-iodo-6-methoxy-4-[(1E)-3-methoxy-3-oxoprop-1-en-1-yl]phenyl benzoate

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

Density: 1.6±0.1 g/cm3
Boiling Point: 560.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 293.0±30.1 °C
Index of Refraction: 1.632
Molar Refractivity: 99.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2060.13
ACD/KOC (pH 5.5): 8197.51
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2060.13
ACD/KOC (pH 7.4): 8197.51
Polar Surface Area: 62 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 279.9±3.0 cm3

Click to predict properties on the Chemicalize site


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