ChemSpider 2D Image | (3R)-3-Hydroxy-3-(4-hydroxybenzyl)-5,6,7-trimethoxy-2,3-dihydro-4H-chromen-4-one | C19H20O7

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

  • Molecular FormulaC19H20O7
  • Average mass360.358 Da
  • Monoisotopic mass360.120911 Da
  • ChemSpider ID30811315

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-Hydroxy-3-(4-hydroxybenzyl)-5,6,7-trimethoxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(3R)-3-Hydroxy-3-(4-hydroxybenzyl)-5,6,7-trimethoxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(3R)-3-Hydroxy-3-(4-hydroxybenzyl)-5,6,7-triméthoxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-3-hydroxy-3-[(4-hydroxyphenyl)methyl]-5,6,7-trimethoxy-, (3R)- [ACD/Index 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: 592.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 214.0±23.6 °C
Index of Refraction: 1.609
Molar Refractivity: 92.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.65
ACD/KOC (pH 5.5): 384.21
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.55
ACD/KOC (pH 7.4): 382.99
Polar Surface Area: 94 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 268.0±3.0 cm3

Click to predict properties on the Chemicalize site


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