ChemSpider 2D Image | (4S)-3,4-Bis(3-hydroxybenzyl)dihydro-2(3H)-furanone | C18H18O4

(4S)-3,4-Bis(3-hydroxybenzyl)dihydro-2(3H)-furanone

  • Molecular FormulaC18H18O4
  • Average mass298.333 Da
  • Monoisotopic mass298.120514 Da
  • ChemSpider ID21466929
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

(4S)-3,4-Bis(3-hydroxybenzyl)dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(4S)-3,4-Bis(3-hydroxybenzyl)dihydro-2(3H)-furanone [ACD/IUPAC Name]
(4S)-3,4-Bis(3-hydroxybenzyl)dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, dihydro-3,4-bis[(3-hydroxyphenyl)methyl]-, (4S)- [ACD/Index Name]
(±)-Enterolactone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 561.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 209.0±16.7 °C
Index of Refraction: 1.635
Molar Refractivity: 82.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.24
ACD/KOC (pH 5.5): 549.60
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.96
ACD/KOC (pH 7.4): 546.44
Polar Surface Area: 67 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 229.7±3.0 cm3

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