ChemSpider 2D Image | 5,5'-Bis[(6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]-2,2'-biphenyldiol | C36H40N2O6

5,5'-Bis[(6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]-2,2'-biphenyldiol

  • Molecular FormulaC36H40N2O6
  • Average mass596.713 Da
  • Monoisotopic mass596.288635 Da
  • ChemSpider ID2033304

More details:

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

[1,1'-Biphenyl]-2,2'-diol, 5,5'-bis[(1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolinyl)methyl]- [ACD/Index Name]
5,5'-Bis[(6,7-dimethoxy-1,2,3,4-tetrahydro-1-isochinolinyl)methyl]-2,2'-biphenyldiol [German] [ACD/IUPAC Name]
5,5'-Bis[(6,7-diméthoxy-1,2,3,4-tétrahydro-1-isoquinoléinyl)méthyl]-2,2'-biphényldiol [French] [ACD/IUPAC Name]
5,5'-Bis[(6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]-2,2'-biphenyldiol [ACD/IUPAC Name]
4-[(6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL)METHYL]-2-[5-[(6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL)METHYL]-2-HYDROXYPHENYL]PHENOL
5,5'-bis((6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)-1,1'-biphenyl-2,2'-diol
5,5'-bis((6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)-1,1'-biphenyl-2,2'-diol (en)
681476-75-5 [RN]
MFCD01444659

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 748.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 113.0±3.0 kJ/mol
    Flash Point: 406.6±32.9 °C
    Index of Refraction: 1.614
    Molar Refractivity: 170.7±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 4
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 3.92
    ACD/LogD (pH 5.5): 0.07
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 2.23
    ACD/BCF (pH 7.4): 10.18
    ACD/KOC (pH 7.4): 52.58
    Polar Surface Area: 101 Å2
    Polarizability: 67.7±0.5 10-24cm3
    Surface Tension: 49.2±3.0 dyne/cm
    Molar Volume: 489.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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