ChemSpider 2D Image | 3-(6,7-Dihydroxy-8-methoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)-6,7-dimethoxy-2-benzofuran-1(3H)-one | C21H23NO7

3-(6,7-Dihydroxy-8-methoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)-6,7-dimethoxy-2-benzofuran-1(3H)-one

  • Molecular FormulaC21H23NO7
  • Average mass401.410 Da
  • Monoisotopic mass401.147461 Da
  • ChemSpider ID64883291

More details:

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

1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(1,2,3,4-tetrahydro-6,7-dihydroxy-8-methoxy-2-methyl-1-isoquinolinyl)- [ACD/Index Name]
3-(6,7-Dihydroxy-8-methoxy-2-methyl-1,2,3,4-tetrahydro-1-isochinolinyl)-6,7-dimethoxy-2-benzofuran-1(3H)-on [German] [ACD/IUPAC Name]
3-(6,7-Dihydroxy-8-méthoxy-2-méthyl-1,2,3,4-tétrahydro-1-isoquinoléinyl)-6,7-diméthoxy-2-benzofuran-1(3H)-one [French] [ACD/IUPAC Name]
3-(6,7-Dihydroxy-8-methoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)-6,7-dimethoxy-2-benzofuran-1(3H)-one [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 611.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 323.7±31.5 °C
Index of Refraction: 1.621
Molar Refractivity: 104.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.28
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.63
ACD/KOC (pH 5.5): 29.18
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 9.28
ACD/KOC (pH 7.4): 166.39
Polar Surface Area: 98 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 295.9±3.0 cm3

Click to predict properties on the Chemicalize site


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