ChemSpider 2D Image | funalenone | C15H12O6

funalenone

  • Molecular FormulaC15H12O6
  • Average mass288.252 Da
  • Monoisotopic mass288.063385 Da
  • ChemSpider ID28532995

More details:

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

1H-Phenalen-1-one, 3,4,7,9-tetrahydroxy-2-methoxy-6-methyl- [ACD/Index Name]
259728-61-5 [RN]
3,4,7,9-Tetrahydroxy-2-methoxy-6-methyl-1H-phenalen-1-on [German] [ACD/IUPAC Name]
3,4,7,9-Tetrahydroxy-2-methoxy-6-methyl-1H-phenalen-1-one [ACD/IUPAC Name]
3,4,7,9-Tétrahydroxy-2-méthoxy-6-méthyl-1H-phénalén-1-one [French] [ACD/IUPAC Name]
funalenone
1H-Phenalen-1-one,3,4,7,9-tetrahydroxy-2-methoxy-6-methyl-
3,4,6,7-Tetrahydroxy-5-methoxy-9-methylphenalen-1-one
3,4,7,9-tetrahydroxy-2-methoxy-6-methylphenalen-1-one
62480-44-8 [RN]
More...
  • Miscellaneous

    • Chemical Class:

      An organic tricyclic compound that is 1<element>H</element>-phenalen-1-one which is substituted by hydroxy groups at positions 3,4,7, and 9, by a methoxy group at position 2, and by a methyl group at position 6. It is a collagenase inhibitor produced by <ital>Aspergillus niger</ital>. ChEBI CHEBI:65932
      An organic tricyclic compound that is 1H-phenalen-1-one which is substituted by hydroxy groups at positions 3,4,7, and 9, by a methoxy group at position 2, and by a methyl group at ; position 6. It is a collagenase inhibitor produced by Aspergillus niger. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65932
      An organic tricyclic compound that is 1H-phenalen-1-one which is substituted by hydroxy groups at positions 3,4,7, and 9, by a methoxy group at position 2, and by a methyl group at position 6. It is a collagenase inhibitor produced by Aspergillus niger. ChEBI CHEBI:65932

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

Density: 1.7±0.1 g/cm3
Boiling Point: 605.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 234.1±25.0 °C
Index of Refraction: 1.796
Molar Refractivity: 72.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.69
ACD/LogD (pH 7.4): -1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 102.3±5.0 dyne/cm
Molar Volume: 171.1±5.0 cm3

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