actinium;2,5-diiodophenol

C6H4AcI2O — CID 59887168

IUPACactinium;2,5-diiodophenol
SMILESOc1cc(I)ccc1I.[Ac]
InChIInChI=1S/C6H4I2O.Ac/c7-4-1-2-5(8)6(9)3-4;/h1-3,9H;
InChIKeyZOQOXULHWSRAST-UHFFFAOYSA-N
MW572.90 g/mol
LogP2.60
Rot. Bonds

About actinium;2,5-diiodophenol

actinium;2,5-diiodophenol (PubChem CID 59887168) has the molecular formula C6H4AcI2O and a molecular weight of 572.90 g/mol. Its IUPAC name is actinium;2,5-diiodophenol.

Molecular Properties

Compound Nameactinium;2,5-diiodophenol
PubChem CID59887168
Molecular FormulaC6H4AcI2O
Molecular Weight572.90 g/mol
Exact Mass572.86
IUPAC Nameactinium;2,5-diiodophenol
SMILESOc1cc(I)ccc1I.[Ac]
InChIInChI=1S/C6H4I2O.Ac/c7-4-1-2-5(8)6(9)3-4;/h1-3,9H;
InChIKeyZOQOXULHWSRAST-UHFFFAOYSA-N
XLogP2.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.90
LogP ≤ 52.60
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

2,5-diiodobenzene-1,4-diol
CID 18504287
5-ethyl-2-iodophenol
CID 22996199
3-hydroxy-4-iodobenzamide
CID 24799921
2-iodophenol;3-iodophenol
CID 68975809
2-iodophenol;4-iodophenol
CID 67440889
2,4,5-triiodophenol
CID 18369900
2-iodophenol
CID 10784
CID 155601421
CID 155601421
7-iodoisoquinolin-4-ol
CID 151672694
6-iodo-1-benzofuran-3-ol
CID 123196484
7-iodonaphthalene-1,3-diol
CID 176890151
bis(2-hydroxy-5-iodobenzoic acid);zinc
CID 168801294

Frequently Asked Questions

What is the IUPAC name of actinium;2,5-diiodophenol?
The IUPAC name of actinium;2,5-diiodophenol (CID 59887168) is actinium;2,5-diiodophenol.
What is the SMILES notation for actinium;2,5-diiodophenol?
The canonical SMILES for actinium;2,5-diiodophenol is Oc1cc(I)ccc1I.[Ac].
What is the InChIKey of actinium;2,5-diiodophenol?
The InChIKey is ZOQOXULHWSRAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4I2O.Ac/c7-4-1-2-5(8)6(9)3-4;/h1-3,9H;.
What are the key properties of actinium;2,5-diiodophenol?
actinium;2,5-diiodophenol has a molecular weight of 572.90 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;2,5-diiodophenol is sourced from PubChem (CID 59887168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).