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Search term: 23326592 (Found by CSID)
ChemSpider 2D Image | 5-Hydroxy-6-(3-methyl-2-buten-1-yl)-2-(1E)-1-penten-1-yl-4-benzofurancarboxaldehyde | C19H22O3

5-Hydroxy-6-(3-methyl-2-buten-1-yl)-2-(1E)-1-penten-1-yl-4-benzofurancarboxaldehyde

  • Molecular FormulaC19H22O3
  • Average mass298.376 Da
  • Monoisotopic mass298.156891 Da
  • ChemSpider ID23326592

  • Double-bond stereo - Double-bond stereo

More details:

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

4-Benzofurancarboxaldehyde, 5-hydroxy-6-(3-methyl-2-buten-1-yl)-2-[(1E)-1-penten-1-yl]- [ACD/Index Name]
5-Hydroxy-6-(3-methyl-2-buten-1-yl)-2-(1E)-1-penten-1-yl-4-benzofurancarboxaldehyde
5-Hydroxy-6-(3-methyl-2-buten-1-yl)-2-[(1E)-1-penten-1-yl]-1-benzofuran-4-carbaldehyd [German] [ACD/IUPAC Name]
5-Hydroxy-6-(3-methyl-2-buten-1-yl)-2-[(1E)-1-penten-1-yl]-1-benzofuran-4-carbaldehyde [ACD/IUPAC Name]
5-Hydroxy-6-(3-méthyl-2-butén-1-yl)-2-[(1E)-1-pentén-1-yl]-1-benzofurane-4-carbaldéhyde [French] [ACD/IUPAC Name]
916602-30-7 [RN]
(E)-5-hydroxy-6-(3-methylbut-2-enyl)-2-(pent-1-enyl)benzofuran-4-carbaldehyde
2-(2',3-epoxy-(1->3')-heptadienyl)-6-hydroxy-5-(3-methyl-2-butenyl)benzaldehyde
2-(2',3-epoxy-1',3'-heptadienyl)-6-hydroxy-5-(3-methyl-2-butenyl)benzaldehyde
5-hydroxy-6-(3-methylbut-2-en-1-yl)-2-[(1E)-pent-1-en-1-yl]-1-benzofuran-4-carbaldehyde
More...
  • Miscellaneous

    • Chemical Class:

      A member of the class of 1-benzofurans that is 1-benzofuran substituted by a hydroxy group at position 5, a prenyl group at position 6 and a pent-1-en-1-yl group at position 2. Isolated from <ital>Cha etomium globosum</ital>, it exhibits radical scavenging activity. ChEBI CHEBI:68701
      A member of the class of 1-benzofurans that is 1-benzofuran substituted by a hydroxy group at position 5, a prenyl group at position 6 and a pent-1-en-1-yl group at position 2. Isolated from Cha; etom ium globosum, it exhibits radical scavenging activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68701
      A member of the class of 1-benzofurans that is 1-benzofuran substituted by a hydroxy group at position 5, a prenyl group at position 6 and a pent-1-en-1-yl group at position 2. Isolated from Chaetomiu m globosum, it exhibits radical scavenging activity. ChEBI CHEBI:68701

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

Density: 1.1±0.1 g/cm3
Boiling Point: 423.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 209.8±28.7 °C
Index of Refraction: 1.620
Molar Refractivity: 93.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4747.01
ACD/KOC (pH 5.5): 14895.68
ACD/LogD (pH 7.4): 5.11
ACD/BCF (pH 7.4): 4426.88
ACD/KOC (pH 7.4): 13891.14
Polar Surface Area: 50 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 266.2±3.0 cm3

Click to predict properties on the Chemicalize site


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