ChemSpider 2D Image | 1-(3-{4-[(6,7-Dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]phenoxy}-4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinol | C36H40N2O6

1-(3-{4-[(6,7-Dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]phenoxy}-4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinol

  • Molecular FormulaC36H40N2O6
  • Average mass596.713 Da
  • Monoisotopic mass596.288635 Da
  • ChemSpider ID28555019

More details:

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

1-(3-{4-[(6,7-Dimethoxy-1,2,3,4-tetrahydro-1-isochinolinyl)methyl]phenoxy}-4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isochinolinol [German] [ACD/IUPAC Name]
1-(3-{4-[(6,7-Diméthoxy-1,2,3,4-tétrahydro-1-isoquinoléinyl)méthyl]phénoxy}-4-hydroxybenzyl)-6-méthoxy-2-méthyl-1,2,3,4-tétrahydro-7-isoquinoléinol [French] [ACD/IUPAC Name]
1-(3-{4-[(6,7-Dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]phenoxy}-4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinol [ACD/IUPAC Name]
7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[[4-hydroxy-3-[4-[(1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolinyl)methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl- [ACD/Index Name]
(1r)-1-[3-(4-{[(1r)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenoxy)-4-hydroxybenzyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
12039-19-9 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 732.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 396.7±32.9 °C
Index of Refraction: 1.620
Molar Refractivity: 170.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.11
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 43.68
ACD/KOC (pH 7.4): 144.74
Polar Surface Area: 93 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 486.2±3.0 cm3

Click to predict properties on the Chemicalize site


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