ChemSpider 2D Image | (2S)-8-[(1Z)-3-Hydroxy-3-methyl-1-buten-1-yl]-7-methoxy-2-phenyl-2,3-dihydro-4H-chromen-4-one | C21H22O4

(2S)-8-[(1Z)-3-Hydroxy-3-methyl-1-buten-1-yl]-7-methoxy-2-phenyl-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC21H22O4
  • Average mass338.397 Da
  • Monoisotopic mass338.151794 Da
  • ChemSpider ID29784936

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-8-[(1Z)-3-Hydroxy-3-methyl-1-buten-1-yl]-7-methoxy-2-phenyl-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2S)-8-[(1Z)-3-Hydroxy-3-methyl-1-buten-1-yl]-7-methoxy-2-phenyl-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2S)-8-[(1Z)-3-Hydroxy-3-méthyl-1-butén-1-yl]-7-méthoxy-2-phényl-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-8-[(1Z)-3-hydroxy-3-methyl-1-buten-1-yl]-7-methoxy-2-phenyl-, (2S)- [ACD/Index Name]
(2S)-2,3-dihydrotephroapollin C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 540.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 191.8±23.6 °C
Index of Refraction: 1.607
Molar Refractivity: 97.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 317.21
ACD/KOC (pH 5.5): 2148.20
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 317.21
ACD/KOC (pH 7.4): 2148.20
Polar Surface Area: 56 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 283.5±3.0 cm3

Click to predict properties on the Chemicalize site


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