2,4,5-triiodophenol

C6H3I3O — CID 18369900

IUPAC2,4,5-triiodophenol
SMILESOc1cc(I)c(I)cc1I
InChIInChI=1S/C6H3I3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
InChIKeyHMPJHNVNSAMGSU-UHFFFAOYSA-N
MW471.80 g/mol
LogP3.21
Rot. Bonds

About 2,4,5-triiodophenol

2,4,5-triiodophenol (PubChem CID 18369900) has the molecular formula C6H3I3O and a molecular weight of 471.80 g/mol. Its IUPAC name is 2,4,5-triiodophenol.

Molecular Properties

Compound Name2,4,5-triiodophenol
PubChem CID18369900
Molecular FormulaC6H3I3O
Molecular Weight471.80 g/mol
Exact Mass471.73
IUPAC Name2,4,5-triiodophenol
SMILESOc1cc(I)c(I)cc1I
InChIInChI=1S/C6H3I3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
InChIKeyHMPJHNVNSAMGSU-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': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,5-diiodobenzene-1,4-diol
CID 18504287
4-(chloromethyl)-2,5-diiodophenol
CID 131011104
6-iodo-1,3-benzodioxol-5-ol
CID 11173090
4,6-diiodobenzene-1,3-diol;dipyridin-4-yldiazene
CID 139202655
actinium;2,5-diiodophenol
CID 59887168
1-(2,5-dihydroxy-4-iodophenyl)butan-1-one
CID 118327186
2,4-diiodo-5-pentadecylphenol
CID 11953468
3-iodo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol
CID 10711463
(2S)-2-amino-3-(4-hydroxy-2,5-diiodophenyl)propanoic acid
CID 69405398
2-hydroxy-2-(2-hydroxy-4,5-diiodophenyl)acetic acid
CID 118839559
4,5,6-triiodobenzene-1,3-diol
CID 102090528
2,4,5-triiodobenzoic acid
CID 4693340

Frequently Asked Questions

What is the IUPAC name of 2,4,5-triiodophenol?
The IUPAC name of 2,4,5-triiodophenol (CID 18369900) is 2,4,5-triiodophenol.
What is the SMILES notation for 2,4,5-triiodophenol?
The canonical SMILES for 2,4,5-triiodophenol is Oc1cc(I)c(I)cc1I.
What is the InChIKey of 2,4,5-triiodophenol?
The InChIKey is HMPJHNVNSAMGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3I3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H.
What are the key properties of 2,4,5-triiodophenol?
2,4,5-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 2,4,5-triiodophenol is sourced from PubChem (CID 18369900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).