ChemSpider 2D Image | 4-[(2E)-3-(1,3-Benzodioxol-5-yl)-2-propen-1-yl]-2,3-dimethoxyphenol | C18H18O5

4-[(2E)-3-(1,3-Benzodioxol-5-yl)-2-propen-1-yl]-2,3-dimethoxyphenol

  • Molecular FormulaC18H18O5
  • Average mass314.332 Da
  • Monoisotopic mass314.115417 Da
  • ChemSpider ID30832160

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(2E)-3-(1,3-Benzodioxol-5-yl)-2-propen-1-yl]-2,3-dimethoxyphenol [German] [ACD/IUPAC Name]
4-[(2E)-3-(1,3-Benzodioxol-5-yl)-2-propen-1-yl]-2,3-dimethoxyphenol [ACD/IUPAC Name]
4-[(2E)-3-(1,3-Benzodioxol-5-yl)-2-propén-1-yl]-2,3-diméthoxyphénol [French] [ACD/IUPAC Name]
Phenol, 4-[(2E)-3-(1,3-benzodioxol-5-yl)-2-propen-1-yl]-2,3-dimethoxy- [ACD/Index 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: 469.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 237.6±27.3 °C
Index of Refraction: 1.626
Molar Refractivity: 88.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 77.93
ACD/KOC (pH 5.5): 786.47
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 77.51
ACD/KOC (pH 7.4): 782.20
Polar Surface Area: 57 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 248.7±3.0 cm3

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