ChemSpider 2D Image | (3R)-3-(4-Hydroxybenzyl)-5,7-dimethoxy-2,3-dihydro-4H-chromen-4-one | C18H18O5

(3R)-3-(4-Hydroxybenzyl)-5,7-dimethoxy-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC18H18O5
  • Average mass314.332 Da
  • Monoisotopic mass314.115417 Da
  • ChemSpider ID57641905
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3R)-3-(4-Hydroxybenzyl)-5,7-dimethoxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(3R)-3-(4-Hydroxybenzyl)-5,7-dimethoxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(3R)-3-(4-Hydroxybenzyl)-5,7-diméthoxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-3-[(4-hydroxyphenyl)methyl]-5,7-dimethoxy-, (3R)- [ACD/Index Name]
5,7-dimethoxy-3-(4-hydroxybenzyl)-4-chromanone
916225-81-5 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 524.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 192.8±23.6 °C
Index of Refraction: 1.596
Molar Refractivity: 84.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 144.38
ACD/KOC (pH 5.5): 1222.86
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 143.95
ACD/KOC (pH 7.4): 1219.23
Polar Surface Area: 65 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 248.5±3.0 cm3

Click to predict properties on the Chemicalize site






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