ChemSpider 2D Image | 6-O-DesmethylDonepezil | C23H27NO3

6-O-DesmethylDonepezil

  • Molecular FormulaC23H27NO3
  • Average mass365.465 Da
  • Monoisotopic mass365.199097 Da
  • ChemSpider ID21627304

More details:

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

120013-56-1 [RN]
1H-Inden-1-one, 2,3-dihydro-6-hydroxy-5-methoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]- [ACD/Index Name]
2-[(1-Benzyl-4-piperidinyl)methyl]-6-hydroxy-5-methoxy-1-indanon [German] [ACD/IUPAC Name]
2-[(1-Benzyl-4-piperidinyl)methyl]-6-hydroxy-5-methoxy-1-indanone [ACD/IUPAC Name]
2-[(1-Benzyl-4-pipéridinyl)méthyl]-6-hydroxy-5-méthoxy-1-indanone [French] [ACD/IUPAC Name]
6-O-Desmethyl Donepezil
6-O-DesmethylDonepezil
1189443-74-0 [RN]
1H-Inden-1-one,2,3-dihydro-6-hydroxy-5-methoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-
2,3-dihydro-6-hydroxy-5-methoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-1H-inden-1-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

556XXE4I5F [DBID]
UNII:556XXE4I5F [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 545.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 85.5±3.0 kJ/mol
    Flash Point: 283.6±30.1 °C
    Index of Refraction: 1.604
    Molar Refractivity: 105.6±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.14
    ACD/LogD (pH 5.5): 1.20
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.09
    ACD/LogD (pH 7.4): 2.66
    ACD/BCF (pH 7.4): 27.91
    ACD/KOC (pH 7.4): 147.39
    Polar Surface Area: 50 Å2
    Polarizability: 41.9±0.5 10-24cm3
    Surface Tension: 50.6±3.0 dyne/cm
    Molar Volume: 306.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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