ChemSpider 2D Image | (2S,3S,4R)-4-(3,4-Dimethoxyphenyl)-7-hydroxy-6-methoxy-2,3-dimethyl-3,4-dihydro-1(2H)-naphthalenone | C21H24O5

(2S,3S,4R)-4-(3,4-Dimethoxyphenyl)-7-hydroxy-6-methoxy-2,3-dimethyl-3,4-dihydro-1(2H)-naphthalenone

  • Molecular FormulaC21H24O5
  • Average mass356.412 Da
  • Monoisotopic mass356.162384 Da
  • ChemSpider ID24660098

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3S,4R)-4-(3,4-Diméthoxyphényl)-7-hydroxy-6-méthoxy-2,3-diméthyl-3,4-dihydro-1(2H)-naphtalénone [French] [ACD/IUPAC Name]
(2S,3S,4R)-4-(3,4-Dimethoxyphenyl)-7-hydroxy-6-methoxy-2,3-dimethyl-3,4-dihydro-1(2H)-naphthalenone [ACD/IUPAC Name]
(2S,3S,4R)-4-(3,4-Dimethoxyphenyl)-7-hydroxy-6-methoxy-2,3-dimethyl-3,4-dihydro-1(2H)-naphthalinon [German] [ACD/IUPAC Name]
1(2H)-Naphthalenone, 4-(3,4-dimethoxyphenyl)-3,4-dihydro-7-hydroxy-6-methoxy-2,3-dimethyl-, (2S,3S,4R)- [ACD/Index Name]
(2S,3S,4R)-4-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxy-2,3-dimethyl-3,4-dihydro-2H-naphthalen-1-one
(2S,3S,4R)-4-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxy-2,3-dimethyl-3,4-dihydronaphthalen-1(2H)-one
98619-25-1 [RN]
arisantetralone C
MFCD21333770
Schisandrone

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 508.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 80.8±3.0 kJ/mol
    Flash Point: 176.1±23.6 °C
    Index of Refraction: 1.557
    Molar Refractivity: 98.9±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.23
    ACD/LogD (pH 5.5): 3.99
    ACD/BCF (pH 5.5): 631.48
    ACD/KOC (pH 5.5): 3516.26
    ACD/LogD (pH 7.4): 3.98
    ACD/BCF (pH 7.4): 625.05
    ACD/KOC (pH 7.4): 3480.50
    Polar Surface Area: 65 Å2
    Polarizability: 39.2±0.5 10-24cm3
    Surface Tension: 40.8±3.0 dyne/cm
    Molar Volume: 307.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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