ChemSpider 2D Image | Xanthogalenol | C21H22O5

Xanthogalenol

  • Molecular FormulaC21H22O5
  • Average mass354.396 Da
  • Monoisotopic mass354.146729 Da
  • ChemSpider ID24692988

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-[2,6-Dihydroxy-4-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-(4-hydroxyphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-[2,6-Dihydroxy-4-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-[2,6-Dihydroxy-4-méthoxy-3-(3-méthyl-2-butén-1-yl)phényl]-3-(4-hydroxyphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
265659-35-6 [RN]
2-Propen-1-one, 1-[2,6-dihydroxy-4-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-(4-hydroxyphenyl)-, (2E)- [ACD/Index Name]
Xanthogalenol
(2E)-1-[2,6-dihydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
2',4,6'-Trihydroxy-4'-methoxy-3'-prenylchalcone
3' prenyl-4' O-methylchalconaringenin
3'-Prenyl-4,2',6'-trihydroxy-4'-methoxychalcone
More...

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

  • Miscellaneous

    • Chemical Class:

      A member of the class of chalcones that is <stereo>trans</stereo>-chalcone substituted by hydroxy groups at positions 4, 2' and 6', a methoxy group at position 4' and a prenyl group at position 3'. ChEBI CHEBI:136826
      A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 6', a methoxy group at position 4' and a prenyl group at position 3'. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:136826, CHEBI:136826

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

Density: 1.2±0.1 g/cm3
Boiling Point: 600.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 212.9±25.0 °C
Index of Refraction: 1.641
Molar Refractivity: 102.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 5101.47
ACD/KOC (pH 5.5): 15563.94
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 1553.34
ACD/KOC (pH 7.4): 4739.04
Polar Surface Area: 87 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 284.9±3.0 cm3

Click to predict properties on the Chemicalize site


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