ChemSpider 2D Image | (2E)-1-(4-Chlorophenyl)-3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-2-propen-1-one | C18H15ClO5

(2E)-1-(4-Chlorophenyl)-3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-2-propen-1-one

  • Molecular FormulaC18H15ClO5
  • Average mass346.762 Da
  • Monoisotopic mass346.060791 Da
  • ChemSpider ID22997191

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-(4-Chlorophenyl)-3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-(4-Chlorophényl)-3-(6,7-diméthoxy-1,3-benzodioxol-5-yl)-2-propén-1-one [French] [ACD/IUPAC Name]
(2E)-1-(4-Chlorphenyl)-3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-2-propen-1-on [German] [ACD/IUPAC Name]
2-Propen-1-one, 1-(4-chlorophenyl)-3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-, (2E)- [ACD/Index Name]
(2E)-1-(4-chlorophenyl)-3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)prop-2-en-1-one
(2E)-3-(6,7-dimethoxy(2H-benzo[d]1,3-dioxolen-5-yl))-1-(4-chlorophenyl)prop-2-en-1-one
1-(4-Chloro-phenyl)-3-(6,7-dimethoxy-benzo[1,3]dioxol-5-yl)-propenone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 485.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 187.0±27.7 °C
Index of Refraction: 1.619
Molar Refractivity: 91.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 245.31
ACD/KOC (pH 5.5): 1787.18
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 245.31
ACD/KOC (pH 7.4): 1787.18
Polar Surface Area: 54 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 261.0±3.0 cm3

Click to predict properties on the Chemicalize site


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