ChemSpider 2D Image | 5-[(Z)-2-{3,5-Dimethoxy-4-[(~2~H_3_)methyloxy]phenyl}vinyl]-2-methoxyphenol | C18H17D3O5

5-[(Z)-2-{3,5-Dimethoxy-4-[(2H3)methyloxy]phenyl}vinyl]-2-methoxyphenol

  • Molecular FormulaC18H17D3O5
  • Average mass319.367 Da
  • Monoisotopic mass319.149902 Da
  • ChemSpider ID107439741

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

5-[(Z)-2-{3,5-Dimethoxy-4-[(2H3)methyloxy]phenyl}vinyl]-2-methoxyphenol [German] [ACD/IUPAC Name]
5-[(Z)-2-{3,5-Dimethoxy-4-[(2H3)methyloxy]phenyl}vinyl]-2-methoxyphenol [ACD/IUPAC Name]
5-[(Z)-2-{3,5-Diméthoxy-4-[(2H3)méthyloxy]phényl}vinyl]-2-méthoxyphénol [French] [ACD/IUPAC Name]
Phenol, 5-[(Z)-2-[3,5-dimethoxy-4-(methyl-d3-oxy)phenyl]ethenyl]-2-methoxy- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 490.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 250.3±28.7 °C
Index of Refraction: 1.607
Molar Refractivity: 92.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 147.83
ACD/KOC (pH 5.5): 1243.72
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 147.01
ACD/KOC (pH 7.4): 1236.83
Polar Surface Area: 57 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 267.1±3.0 cm3

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