2-(4-hydroxy-3,5-diiodophenyl)-2-oxoacetic acid

C8H4I2O4 — CID 25136340

IUPAC2-(4-hydroxy-3,5-diiodophenyl)-2-oxoacetic acid
SMILESO=C(O)C(=O)c1cc(I)c(O)c(I)c1
InChIInChI=1S/C8H4I2O4/c9-4-1-3(6(11)8(13)14)2-5(10)7(4)12/h1-2,12H,(H,13,14)
InChIKeyWJUVPHFVVBNRHU-UHFFFAOYSA-N
MW417.92 g/mol
LogP1.87
Rot. Bonds2

About 2-(4-hydroxy-3,5-diiodophenyl)-2-oxoacetic acid

2-(4-hydroxy-3,5-diiodophenyl)-2-oxoacetic acid (PubChem CID 25136340) has the molecular formula C8H4I2O4 and a molecular weight of 417.92 g/mol. Its IUPAC name is 2-(4-hydroxy-3,5-diiodophenyl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-3,5-diiodophenyl)-2-oxoacetic acid
PubChem CID25136340
Molecular FormulaC8H4I2O4
Molecular Weight417.92 g/mol
Exact Mass417.82
IUPAC Name2-(4-hydroxy-3,5-diiodophenyl)-2-oxoacetic acid
SMILESO=C(O)C(=O)c1cc(I)c(O)c(I)c1
InChIInChI=1S/C8H4I2O4/c9-4-1-3(6(11)8(13)14)2-5(10)7(4)12/h1-2,12H,(H,13,14)
InChIKeyWJUVPHFVVBNRHU-UHFFFAOYSA-N
XLogP1.87
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3,5-diiodophenyl)-2-oxoacetic acid?
The IUPAC name of 2-(4-hydroxy-3,5-diiodophenyl)-2-oxoacetic acid (CID 25136340) is 2-(4-hydroxy-3,5-diiodophenyl)-2-oxoacetic acid.
What is the SMILES notation for 2-(4-hydroxy-3,5-diiodophenyl)-2-oxoacetic acid?
The canonical SMILES for 2-(4-hydroxy-3,5-diiodophenyl)-2-oxoacetic acid is O=C(O)C(=O)c1cc(I)c(O)c(I)c1.
What is the InChIKey of 2-(4-hydroxy-3,5-diiodophenyl)-2-oxoacetic acid?
The InChIKey is WJUVPHFVVBNRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4I2O4/c9-4-1-3(6(11)8(13)14)2-5(10)7(4)12/h1-2,12H,(H,13,14).
What are the key properties of 2-(4-hydroxy-3,5-diiodophenyl)-2-oxoacetic acid?
2-(4-hydroxy-3,5-diiodophenyl)-2-oxoacetic acid has a molecular weight of 417.92 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3,5-diiodophenyl)-2-oxoacetic acid is sourced from PubChem (CID 25136340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).