ChemSpider 2D Image | (3R)-7-Hydroxy-3-(4-hydroxybenzyl)-5,6-dimethoxy-2,3-dihydro-4H-chromen-4-one | C18H18O6

(3R)-7-Hydroxy-3-(4-hydroxybenzyl)-5,6-dimethoxy-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC18H18O6
  • Average mass330.332 Da
  • Monoisotopic mass330.110352 Da
  • ChemSpider ID57641874
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3R)-7-Hydroxy-3-(4-hydroxybenzyl)-5,6-dimethoxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(3R)-7-Hydroxy-3-(4-hydroxybenzyl)-5,6-dimethoxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(3R)-7-Hydroxy-3-(4-hydroxybenzyl)-5,6-diméthoxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-3-[(4-hydroxyphenyl)methyl]-5,6-dimethoxy-, (3R)- [ACD/Index Name]
5,6-dimethoxy-7-hydroxy-3-(4'-hydroxybenzyl)-4-chromanone
887375-70-4 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 579.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 213.3±23.6 °C
Index of Refraction: 1.617
Molar Refractivity: 86.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 82.88
ACD/KOC (pH 5.5): 818.92
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 41.33
ACD/KOC (pH 7.4): 408.40
Polar Surface Area: 85 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 247.0±3.0 cm3

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