4-iodobenzenecarboperoxoic acid

C7H5IO3 — CID 22125857

IUPAC4-iodobenzenecarboperoxoic acid
SMILESO=C(OO)c1ccc(I)cc1
InChIInChI=1S/C7H5IO3/c8-6-3-1-5(2-4-6)7(9)11-10/h1-4,10H
InChIKeyZKJOFKPQUZWZIQ-UHFFFAOYSA-N
MW264.02 g/mol
LogP1.92
Rot. Bonds1

About 4-iodobenzenecarboperoxoic acid

4-iodobenzenecarboperoxoic acid (PubChem CID 22125857) has the molecular formula C7H5IO3 and a molecular weight of 264.02 g/mol. Its IUPAC name is 4-iodobenzenecarboperoxoic acid.

Molecular Properties

Compound Name4-iodobenzenecarboperoxoic acid
PubChem CID22125857
Molecular FormulaC7H5IO3
Molecular Weight264.02 g/mol
Exact Mass263.93
IUPAC Name4-iodobenzenecarboperoxoic acid
SMILESO=C(OO)c1ccc(I)cc1
InChIInChI=1S/C7H5IO3/c8-6-3-1-5(2-4-6)7(9)11-10/h1-4,10H
InChIKeyZKJOFKPQUZWZIQ-UHFFFAOYSA-N
XLogP1.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.02
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(4-iodobenzoyl) 4-iodobenzenecarboperoxoate
CID 141495091
azane;4-carbonoperoxoylbenzoic acid
CID 175182628
(2-iodophenyl) 4-iodobenzoate
CID 125485845
silylmethyl 4-iodobenzoate
CID 157209971
bis[4-(4-iodobenzoyl)phenyl]methanone
CID 22494471
ethene;4-methoxycarbonylbenzenecarboperoxoic acid
CID 87669855
naphthalene-2,6-dicarboperoxoic acid
CID 163709162
4-iodobenzoic acid;nickel
CID 54603201
magnesium;benzenecarboperoxoic acid;hydride;hexahydrate
CID 174404626
benzenecarboperoxoic acid;benzoyl benzenecarboperoxoate
CID 87835991
[(1E)-buta-1,3-dienyl] 4-iodobenzoate
CID 172553888
4-prop-1-enylbenzenecarboperoxoic acid
CID 171324450

Frequently Asked Questions

What is the IUPAC name of 4-iodobenzenecarboperoxoic acid?
The IUPAC name of 4-iodobenzenecarboperoxoic acid (CID 22125857) is 4-iodobenzenecarboperoxoic acid.
What is the SMILES notation for 4-iodobenzenecarboperoxoic acid?
The canonical SMILES for 4-iodobenzenecarboperoxoic acid is O=C(OO)c1ccc(I)cc1.
What is the InChIKey of 4-iodobenzenecarboperoxoic acid?
The InChIKey is ZKJOFKPQUZWZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IO3/c8-6-3-1-5(2-4-6)7(9)11-10/h1-4,10H.
What are the key properties of 4-iodobenzenecarboperoxoic acid?
4-iodobenzenecarboperoxoic acid has a molecular weight of 264.02 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodobenzenecarboperoxoic acid is sourced from PubChem (CID 22125857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).