RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0108905
RefMet name2-Iodophenol
Systematic name2-iodophenol
SynonymsPubChem Synonyms
Exact mass219.938508 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC6H5IOView other entries in RefMet with this formula
Molecular descriptors
Molfile50606 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C6H5IO/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChIKeyKQDJTBPASNJQFQ-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESc1ccc(c(c1)I)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassBenzenoids
Main ClassPhenols
Sub ClassHalophenols
Distribution of 2-Iodophenol in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting 2-Iodophenol
External Links
Pubchem CID10784
ChEBI ID16706
KEGG IDC01874
MetaCyc ID2-IODOPHENOL
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo