ChemSpider 2D Image | (3R)-5,7-Dihydroxy-3-(4-methoxybenzyl)-2,3-dihydro-4H-chromen-4-one | C17H16O5

(3R)-5,7-Dihydroxy-3-(4-methoxybenzyl)-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC17H16O5
  • Average mass300.306 Da
  • Monoisotopic mass300.099762 Da
  • ChemSpider ID24659172
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3R)-5,7-Dihydroxy-3-(4-methoxybenzyl)-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(3R)-5,7-Dihydroxy-3-(4-methoxybenzyl)-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(3R)-5,7-Dihydroxy-3-(4-méthoxybenzyl)-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-3-[(4-methoxyphenyl)methyl]-, (3R)- [ACD/Index Name]
3,9-dihydroeucomin
887375-68-0 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 538.6±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 201.8±20.6 °C
Index of Refraction: 1.634
Molar Refractivity: 79.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 276.36
ACD/KOC (pH 5.5): 1936.96
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 116.44
ACD/KOC (pH 7.4): 816.12
Polar Surface Area: 76 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 223.0±3.0 cm3

Click to predict properties on the Chemicalize site






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