ChemSpider 2D Image | 4-{(2S,3R)-3-(Hydroxymethyl)-5-[(1E)-3-hydroxy-1-propen-1-yl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl}-2,6-dimethoxyphenol | C21H24O7

4-{(2S,3R)-3-(Hydroxymethyl)-5-[(1E)-3-hydroxy-1-propen-1-yl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl}-2,6-dimethoxyphenol

  • Molecular FormulaC21H24O7
  • Average mass388.411 Da
  • Monoisotopic mass388.152191 Da
  • ChemSpider ID26346785

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Benzofuranmethanol, 2,3-dihydro-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(1E)-3-hydroxy-1-propen-1-yl]-7-methoxy-, (2S,3R)- [ACD/Index Name]
4-{(2S,3R)-3-(Hydroxymethyl)-5-[(1E)-3-hydroxy-1-propen-1-yl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl}-2,6-dimethoxyphenol [German] [ACD/IUPAC Name]
4-{(2S,3R)-3-(Hydroxymethyl)-5-[(1E)-3-hydroxy-1-propen-1-yl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl}-2,6-dimethoxyphenol [ACD/IUPAC Name]
4-{(2S,3R)-3-(Hydroxyméthyl)-5-[(1E)-3-hydroxy-1-propén-1-yl]-7-méthoxy-2,3-dihydro-1-benzofuran-2-yl}-2,6-diméthoxyphénol [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 581.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 305.3±30.1 °C
Index of Refraction: 1.617
Molar Refractivity: 105.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 9.49
ACD/KOC (pH 5.5): 174.31
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 9.46
ACD/KOC (pH 7.4): 173.63
Polar Surface Area: 98 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 301.2±3.0 cm3

Click to predict properties on the Chemicalize site


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