(4-iodobenzoyl) 4-iodobenzenecarboperoxoate

C14H8I2O4 — CID 141495091

IUPAC(4-iodobenzoyl) 4-iodobenzenecarboperoxoate
SMILESO=C(OOC(=O)c1ccc(I)cc1)c1ccc(I)cc1
InChIInChI=1S/C14H8I2O4/c15-11-5-1-9(2-6-11)13(17)19-20-14(18)10-3-7-12(16)8-4-10/h1-8H
InChIKeyGOOYDOUPSCYDLO-UHFFFAOYSA-N
MW494.02 g/mol
LogP3.82
Rot. Bonds2

About (4-iodobenzoyl) 4-iodobenzenecarboperoxoate

(4-iodobenzoyl) 4-iodobenzenecarboperoxoate (PubChem CID 141495091) has the molecular formula C14H8I2O4 and a molecular weight of 494.02 g/mol. Its IUPAC name is (4-iodobenzoyl) 4-iodobenzenecarboperoxoate.

Molecular Properties

Compound Name(4-iodobenzoyl) 4-iodobenzenecarboperoxoate
PubChem CID141495091
Molecular FormulaC14H8I2O4
Molecular Weight494.02 g/mol
Exact Mass493.85
IUPAC Name(4-iodobenzoyl) 4-iodobenzenecarboperoxoate
SMILESO=C(OOC(=O)c1ccc(I)cc1)c1ccc(I)cc1
InChIInChI=1S/C14H8I2O4/c15-11-5-1-9(2-6-11)13(17)19-20-14(18)10-3-7-12(16)8-4-10/h1-8H
InChIKeyGOOYDOUPSCYDLO-UHFFFAOYSA-N
XLogP3.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.02
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-iodobenzenecarboperoxoic acid
CID 22125857
silylmethyl 4-iodobenzoate
CID 157209971
bis[4-(4-iodobenzoyl)phenyl]methanone
CID 22494471
(4-chlorobenzoyl) 4-chlorobenzenecarboperoxoate
CID 7179
2-trimethylsilylethyl 4-iodobenzoate
CID 11290981
(2-iodophenyl) 4-iodobenzoate
CID 125485845
argon;benzoyl benzenecarboperoxoate
CID 161437596
CID 19766641
CID 19766641
benzoyl benzenecarboperoxoate;hydron
CID 20524010
4-iodobenzoic acid;nickel
CID 54603201
(4-acetamidophenyl) 4-iodobenzoate
CID 51152655
[(1E)-buta-1,3-dienyl] 4-iodobenzoate
CID 172553888

Frequently Asked Questions

What is the IUPAC name of (4-iodobenzoyl) 4-iodobenzenecarboperoxoate?
The IUPAC name of (4-iodobenzoyl) 4-iodobenzenecarboperoxoate (CID 141495091) is (4-iodobenzoyl) 4-iodobenzenecarboperoxoate.
What is the SMILES notation for (4-iodobenzoyl) 4-iodobenzenecarboperoxoate?
The canonical SMILES for (4-iodobenzoyl) 4-iodobenzenecarboperoxoate is O=C(OOC(=O)c1ccc(I)cc1)c1ccc(I)cc1.
What is the InChIKey of (4-iodobenzoyl) 4-iodobenzenecarboperoxoate?
The InChIKey is GOOYDOUPSCYDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8I2O4/c15-11-5-1-9(2-6-11)13(17)19-20-14(18)10-3-7-12(16)8-4-10/h1-8H.
What are the key properties of (4-iodobenzoyl) 4-iodobenzenecarboperoxoate?
(4-iodobenzoyl) 4-iodobenzenecarboperoxoate has a molecular weight of 494.02 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodobenzoyl) 4-iodobenzenecarboperoxoate is sourced from PubChem (CID 141495091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).