ChemSpider 2D Image | (3,4-Dimethoxyphenyl){7-methoxy-6-[(~2~H_3_)methyloxy]-1-isoquinolinyl}methanol | C20H18D3NO5

(3,4-Dimethoxyphenyl){7-methoxy-6-[(2H3)methyloxy]-1-isoquinolinyl}methanol

  • Molecular FormulaC20H18D3NO5
  • Average mass358.403 Da
  • Monoisotopic mass358.160797 Da
  • ChemSpider ID58783128

  • Non-standard isotope - Non-standard isotope

More details:

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

(3,4-Dimethoxyphenyl){7-methoxy-6-[(2H3)methyloxy]-1-isochinolinyl}methanol [German] [ACD/IUPAC Name]
(3,4-Diméthoxyphényl){7-méthoxy-6-[(2H3)méthyloxy]-1-isoquinoléinyl}méthanol [French] [ACD/IUPAC Name]
(3,4-Dimethoxyphenyl){7-methoxy-6-[(2H3)methyloxy]-1-isoquinolinyl}methanol [ACD/IUPAC Name]
1-Isoquinolinemethanol, α-(3,4-dimethoxyphenyl)-7-methoxy-6-(methyl-d3-oxy)- [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: 534.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 277.1±30.1 °C
Index of Refraction: 1.603
Molar Refractivity: 99.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 18.60
ACD/KOC (pH 5.5): 253.24
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.05
ACD/KOC (pH 7.4): 368.12
Polar Surface Area: 70 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 290.4±3.0 cm3

Click to predict properties on the Chemicalize site


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