phenoxy radical VII (PAMDB120204)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB120204
Identification
Name: phenoxy radical VII
Description:This study reports several phenoxy radicals as inetrmediate compounds in intermediate reaction steps and they are named phenoxy radical I to VIII.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:Not Available
Chemical Formula: C15H10O5
Average Molecular Weight: 270.241
Monoisotopic Molecular Weight: 270.05283
InChI Key: TYTGARXNZIJWFO-UHFFFAOYSA-N
InChI:InChI=1S/C15H10O5/c16-8-3-5-15(6-4-8)14(20-15)13-12(18)10-2-1-9(17)7-11(10)19-13/h1-7,13-14,17H
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:C4(C=C3(C(=O)C(C2(OC1(C=CC(=O)C=C1)2))OC3=CC(O)=4))
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
Kingdom Organic compounds
Super ClassOrganoheterocyclic compounds
Class Benzofurans
Sub ClassNot Available
Direct Parent Benzofurans
Alternative Parents
Substituents
  • Benzofuran
  • Coumaran
  • Aryl alkyl ketone
  • Aryl ketone
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • Phenol
  • Benzenoid
  • Ketone
  • Cyclic ketone
  • Dialkyl ether
  • Oxirane
  • Ether
  • Oxacycle
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aromatic heteropolycyclic compound
Molecular Framework Aromatic heteropolycyclic compounds
External Descriptors
  • a phenol (CPD-12036)
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
3D Conformer45479589 PubChem
Molecular Weight270.24 g/molPubChem
XLogP3-AA1.1 PubChem
Hydrogen Bond Donor Count1 PubChem
Hydrogen Bond Acceptor Count5 PubChem
Rotatable Bond Count1 PubChem
Exact Mass270.053 g/molPubChem
Monoisotopic Mass270.053 g/molPubChem
Topological Polar Surface Area76.1 A^2PubChem
Heavy Atom Count20 PubChem
Formal Charge0 PubChem
Complexity518 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count0 PubChem
Undefined Atom Stereocenter Count2 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
phenoxy radical VII + Hydrogen peroxide + Hydrogen ion → phenoxy radical VI + Water
Pathways:
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    PUBCHEM45479589