copper 2,4,6-triiodophenol

C6H3CuI3O+2 — CID 54602337

IUPACcopper 2,4,6-triiodophenol
SMILESOc1c(I)cc(I)cc1I.[Cu+2]
InChIInChI=1S/C6H3I3O.Cu/c7-3-1-4(8)6(10)5(9)2-3;/h1-2,10H;/q;+2
InChIKeyVMCZKCFJHVRZIQ-UHFFFAOYSA-N
MW535.35 g/mol
LogP3.20
Rot. Bonds

About copper 2,4,6-triiodophenol

copper 2,4,6-triiodophenol (PubChem CID 54602337) has the molecular formula C6H3CuI3O+2 and a molecular weight of 535.35 g/mol. Its IUPAC name is copper 2,4,6-triiodophenol.

Molecular Properties

Compound Namecopper 2,4,6-triiodophenol
PubChem CID54602337
Molecular FormulaC6H3CuI3O+2
Molecular Weight535.35 g/mol
Exact Mass534.66
IUPAC Namecopper 2,4,6-triiodophenol
SMILESOc1c(I)cc(I)cc1I.[Cu+2]
InChIInChI=1S/C6H3I3O.Cu/c7-3-1-4(8)6(10)5(9)2-3;/h1-2,10H;/q;+2
InChIKeyVMCZKCFJHVRZIQ-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper 2,4,6-triiodophenol?
The IUPAC name of copper 2,4,6-triiodophenol (CID 54602337) is copper 2,4,6-triiodophenol.
What is the SMILES notation for copper 2,4,6-triiodophenol?
The canonical SMILES for copper 2,4,6-triiodophenol is Oc1c(I)cc(I)cc1I.[Cu+2].
What is the InChIKey of copper 2,4,6-triiodophenol?
The InChIKey is VMCZKCFJHVRZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3I3O.Cu/c7-3-1-4(8)6(10)5(9)2-3;/h1-2,10H;/q;+2.
What are the key properties of copper 2,4,6-triiodophenol?
copper 2,4,6-triiodophenol has a molecular weight of 535.35 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper 2,4,6-triiodophenol is sourced from PubChem (CID 54602337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).