ChemSpider 2D Image | 2-(4-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}phenoxy)-4-{[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}phenol | C37H42N2O6

2-(4-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}phenoxy)-4-{[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}phenol

  • Molecular FormulaC37H42N2O6
  • Average mass610.739 Da
  • Monoisotopic mass610.304260 Da
  • ChemSpider ID117189

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-(4-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isochinolinyl]methyl}phenoxy)-4-{[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isochinolinyl]methyl}phenol [German] [ACD/IUPAC Name]
2-(4-{[(1R)-6,7-Diméthoxy-2-méthyl-1,2,3,4-tétrahydro-1-isoquinoléinyl]méthyl}phénoxy)-4-{[(1R)-6,7-diméthoxy-1,2,3,4-tétrahydro-1-isoquinoléinyl]méthyl}phénol [French] [ACD/IUPAC Name]
2-(4-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}phenoxy)-4-{[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}phenol [ACD/IUPAC Name]
2-(4-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenoxy)-4-{[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenol
Phenol, 4-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolinyl]methyl]-2-[4-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]- [ACD/Index Name]
[146763-55-5] [RN]
146763-55-5 [RN]
MFCD00238576
N-Demethyldauricine
N-Desmethyldauricine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 718.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 388.5±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 175.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 44.15
ACD/KOC (pH 7.4): 153.33
Polar Surface Area: 82 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 511.8±3.0 cm3

Click to predict properties on the Chemicalize site


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