ChemSpider 2D Image | (1E)-1-(2-Hydroxy-3,4-dimethoxybenzylidene)-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinecarbaldehyde | C21H23NO6

(1E)-1-(2-Hydroxy-3,4-dimethoxybenzylidene)-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinecarbaldehyde

  • Molecular FormulaC21H23NO6
  • Average mass385.410 Da
  • Monoisotopic mass385.152527 Da
  • ChemSpider ID95588548

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E)-1-(2-Hydroxy-3,4-dimethoxybenzyliden)-6,7-dimethoxy-3,4-dihydro-2(1H)-isochinolincarbaldehyd [German] [ACD/IUPAC Name]
(1E)-1-(2-Hydroxy-3,4-diméthoxybenzylidène)-6,7-diméthoxy-3,4-dihydro-2(1H)-isoquinoléinecarbaldéhyde [French] [ACD/IUPAC Name]
(1E)-1-(2-Hydroxy-3,4-dimethoxybenzylidene)-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinecarbaldehyde [ACD/IUPAC Name]
2(1H)-Isoquinolinecarboxaldehyde, 3,4-dihydro-1-[(2-hydroxy-3,4-dimethoxyphenyl)methylene]-6,7-dimethoxy-, (1E)- [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: 610.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 323.0±31.5 °C
Index of Refraction: 1.649
Molar Refractivity: 107.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 74.52
ACD/KOC (pH 5.5): 761.53
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 69.82
ACD/KOC (pH 7.4): 713.51
Polar Surface Area: 77 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 296.1±3.0 cm3

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