ChemSpider 2D Image | (2S,3R)-2-(3,4-Dimethoxyphenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-7-ol | C20H24O6

(2S,3R)-2-(3,4-Dimethoxyphenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-7-ol

  • Molecular FormulaC20H24O6
  • Average mass360.401 Da
  • Monoisotopic mass360.157288 Da
  • ChemSpider ID24691637

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-2-(3,4-Dimethoxyphenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-7-ol [German] [ACD/IUPAC Name]
(2S,3R)-2-(3,4-Dimethoxyphenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-7-ol [ACD/IUPAC Name]
(2S,3R)-2-(3,4-Diméthoxyphényl)-3-(hydroxyméthyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-7-ol [French] [ACD/IUPAC Name]
5-Benzofuranpropanol, 2-(3,4-dimethoxyphenyl)-2,3-dihydro-7-hydroxy-3-(hydroxymethyl)-, (2S,3R)- [ACD/Index Name]
149340-29-4 [RN]
4-O-METHYLCEDRUSIN
5-Benzofuranpropanol,2-(3,4-dimethoxyphenyl)-2,3-dihydro-7-hydroxy-3-(hydroxymethyl)-, (2S,3R)-
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL457819/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 535.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 277.8±30.1 °C
Index of Refraction: 1.595
Molar Refractivity: 97.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 13.92
ACD/KOC (pH 5.5): 229.16
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 13.88
ACD/KOC (pH 7.4): 228.50
Polar Surface Area: 88 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 285.6±3.0 cm3

Click to predict properties on the Chemicalize site


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