2,4,6-triiodophenol

C6H3I3O — CID 11862

IUPAC2,4,6-triiodophenol
SMILESOc1c(I)cc(I)cc1I
InChIInChI=1S/C6H3I3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKeyVAPDZNUFNKUROY-UHFFFAOYSA-N
MW471.80 g/mol
LogP3.21
Rot. Bonds

About 2,4,6-triiodophenol

2,4,6-triiodophenol (PubChem CID 11862) has the molecular formula C6H3I3O and a molecular weight of 471.80 g/mol. Its IUPAC name is 2,4,6-triiodophenol.

Molecular Properties

Compound Name2,4,6-triiodophenol
PubChem CID11862
Molecular FormulaC6H3I3O
Molecular Weight471.80 g/mol
Exact Mass471.73
IUPAC Name2,4,6-triiodophenol
SMILESOc1c(I)cc(I)cc1I
InChIInChI=1S/C6H3I3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKeyVAPDZNUFNKUROY-UHFFFAOYSA-N
XLogP3.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.80
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

Hydroquinone
CID 785
Phenol
CID 996
4-Iodophenol
CID 10894
4-Fluorophenol
CID 9732
2-Iodophenol
CID 10784
2-Fluorophenol
CID 9707
Mercufenol Chloride
CID 6999
Sodium phenoxide
CID 66602278
2,4,6-Triiodoresorcinol
CID 152256
3-Iodophenol
CID 12272
2,6-Difluorophenol
CID 94392
3,5-Difluorophenol
CID 75928

Frequently Asked Questions

What is the IUPAC name of 2,4,6-triiodophenol?
The IUPAC name of 2,4,6-triiodophenol (CID 11862) is 2,4,6-triiodophenol.
What is the SMILES notation for 2,4,6-triiodophenol?
The canonical SMILES for 2,4,6-triiodophenol is Oc1c(I)cc(I)cc1I.
What is the InChIKey of 2,4,6-triiodophenol?
The InChIKey is VAPDZNUFNKUROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3I3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H.
What are the key properties of 2,4,6-triiodophenol?
2,4,6-triiodophenol has a molecular weight of 471.80 g/mol, XLogP of 3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triiodophenol is sourced from PubChem (CID 11862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).