ChemSpider 2D Image | verbenachalcone | C31H28O9

verbenachalcone

  • Molecular FormulaC31H28O9
  • Average mass544.549 Da
  • Monoisotopic mass544.173340 Da
  • ChemSpider ID8274443

More details:

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

1-(2,4-Dihydroxyphenyl)-3-(4-{5-[3-(2,4-dihydroxyphenyl)-3-oxopropyl]-2-hydroxyphenoxy}-3-methoxyphenyl)-1-propanon [German] [ACD/IUPAC Name]
1-(2,4-Dihydroxyphenyl)-3-(4-{5-[3-(2,4-dihydroxyphenyl)-3-oxopropyl]-2-hydroxyphenoxy}-3-methoxyphenyl)-1-propanone [ACD/IUPAC Name]
1-(2,4-Dihydroxyphényl)-3-(4-{5-[3-(2,4-dihydroxyphényl)-3-oxopropyl]-2-hydroxyphénoxy}-3-méthoxyphényl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-(2,4-dihydroxyphenyl)-3-[4-[5-[3-(2,4-dihydroxyphenyl)-3-oxopropyl]-2-hydroxyphenoxy]-3-methoxyphenyl]- [ACD/Index Name]
verbenachalcone
1-(2,4-dihydroxyphenyl)-3-(4-{5-[3-(2,4-dihydroxyphenyl)-3-oxopropyl]-2-hydroxyphenoxy}-3-methoxyphenyl)propan-1-one
4,2',4',2''',4'''-pentahydroxy-3''-methoxy-3-O-4''-tetrahydrobichalcone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL519611/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 807.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.5±3.0 kJ/mol
Flash Point: 265.6±27.8 °C
Index of Refraction: 1.670
Molar Refractivity: 147.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 3401.18
ACD/KOC (pH 5.5): 11668.15
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1021.71
ACD/KOC (pH 7.4): 3505.08
Polar Surface Area: 154 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 66.6±3.0 dyne/cm
Molar Volume: 393.6±3.0 cm3

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