ChemSpider 2D Image | 4-[(2R,3S)-3-(Hydroxymethyl)-5-(3-hydroxy-1-propen-1-yl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol | C20H22O6

4-[(2R,3S)-3-(Hydroxymethyl)-5-(3-hydroxy-1-propen-1-yl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol

  • Molecular FormulaC20H22O6
  • Average mass358.385 Da
  • Monoisotopic mass358.141632 Da
  • ChemSpider ID57578272

  • 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-methoxyphenyl)-5-(3-hydroxy-1-propen-1-yl)-7-methoxy-, (2R,3S)- [ACD/Index Name]
4-[(2R,3S)-3-(Hydroxymethyl)-5-(3-hydroxy-1-propen-1-yl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol [German] [ACD/IUPAC Name]
4-[(2R,3S)-3-(Hydroxymethyl)-5-(3-hydroxy-1-propen-1-yl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol [ACD/IUPAC Name]
4-[(2R,3S)-3-(Hydroxyméthyl)-5-(3-hydroxy-1-propén-1-yl)-7-méthoxy-2,3-dihydro-1-benzofuran-2-yl]-2-méthoxyphénol [French] [ACD/IUPAC Name]
(2R,3S)-(-)-dehydrodiconiferyl alcohol
155836-29-6 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 562.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 293.7±30.1 °C
Index of Refraction: 1.631
Molar Refractivity: 98.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 12.33
ACD/KOC (pH 5.5): 210.11
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 12.28
ACD/KOC (pH 7.4): 209.27
Polar Surface Area: 88 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 277.2±3.0 cm3

Click to predict properties on the Chemicalize site


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