ChemSpider 2D Image | (2S)-2-(3,4-Dimethoxyphenyl)-7-methoxychromane | C18H20O4

(2S)-2-(3,4-Dimethoxyphenyl)-7-methoxychromane

  • Molecular FormulaC18H20O4
  • Average mass300.349 Da
  • Monoisotopic mass300.136169 Da
  • ChemSpider ID28425528

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(3,4-Dimethoxyphenyl)-7-methoxychroman [German] [ACD/IUPAC Name]
(2S)-2-(3,4-Dimethoxyphenyl)-7-methoxychromane [ACD/IUPAC Name]
(2S)-2-(3,4-Diméthoxyphényl)-7-méthoxychromane [French] [ACD/IUPAC Name]
116384-26-0 [RN]
2H-1-Benzopyran, 2-(3,4-dimethoxyphenyl)-3,4-dihydro-7-methoxy-, (2S)- [ACD/Index Name]
2H-1-Benzopyran, 2-(3,4-dimethoxyphenyl)-3,4-dihydro-7-methoxy-, (S)-
(S)-2-(3,4-Dimethoxyphenyl)-7-methoxychroman
3,4,7-trimethoxyflavan
3',4',7-Trimethoxyflavan
MFCD23160387

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 432.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.2±3.0 kJ/mol
    Flash Point: 142.7±35.6 °C
    Index of Refraction: 1.555
    Molar Refractivity: 84.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.95
    ACD/LogD (pH 5.5): 3.96
    ACD/BCF (pH 5.5): 599.66
    ACD/KOC (pH 5.5): 3388.67
    ACD/LogD (pH 7.4): 3.96
    ACD/BCF (pH 7.4): 599.66
    ACD/KOC (pH 7.4): 3388.67
    Polar Surface Area: 37 Å2
    Polarizability: 33.5±0.5 10-24cm3
    Surface Tension: 39.7±3.0 dyne/cm
    Molar Volume: 263.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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