ChemSpider 2D Image | 5,7-Dihydroxy-8-methoxy-3-(4-methoxybenzyl)-2,3-dihydro-4H-chromen-4-one | C18H18O6

5,7-Dihydroxy-8-methoxy-3-(4-methoxybenzyl)-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC18H18O6
  • Average mass330.332 Da
  • Monoisotopic mass330.110352 Da
  • ChemSpider ID57641841

More details:






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

4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-8-methoxy-3-[(4-methoxyphenyl)methyl]- [ACD/Index Name]
5,7-Dihydroxy-8-methoxy-3-(4-methoxybenzyl)-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
5,7-Dihydroxy-8-methoxy-3-(4-methoxybenzyl)-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
5,7-Dihydroxy-8-méthoxy-3-(4-méthoxybenzyl)-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
27245-80-3 [RN]
4'-O-Methyl-3,9-dihydropunctatin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 550.8±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 201.9±23.3 °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: 4.08
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 267.00
ACD/KOC (pH 5.5): 1892.76
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 140.09
ACD/KOC (pH 7.4): 993.09
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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