ChemSpider 2D Image | (3E)-5,7-Dihydroxy-8-methoxy-3-(4-methoxybenzylidene)-2,3-dihydro-4H-chromen-4-one | C18H16O6

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

  • Molecular FormulaC18H16O6
  • Average mass328.316 Da
  • Monoisotopic mass328.094696 Da
  • ChemSpider ID57641830

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-5,7-Dihydroxy-8-methoxy-3-(4-methoxybenzyliden)-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(3E)-5,7-Dihydroxy-8-methoxy-3-(4-methoxybenzylidene)-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(3E)-5,7-Dihydroxy-8-méthoxy-3-(4-méthoxybenzylidène)-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
27434-98-6 [RN]
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-8-methoxy-3-[(4-methoxyphenyl)methylene]-, (3E)- [ACD/Index Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-8-methoxy-3-[(4-methoxyphenyl)methylene]-, (E)-
4'-O-methyl-punctatin
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4463289/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 586.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 217.3±23.6 °C
Index of Refraction: 1.666
Molar Refractivity: 87.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 216.06
ACD/KOC (pH 5.5): 1622.39
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 80.94
ACD/KOC (pH 7.4): 607.82
Polar Surface Area: 85 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 62.0±3.0 dyne/cm
Molar Volume: 236.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement