Se-(4-iodophenyl) ethaneselenoate

C8H7IOSe — CID 10782266

IUPACSe-(4-iodophenyl) ethaneselenoate
SMILESCC(=O)[Se]c1ccc(I)cc1
InChIInChI=1S/C8H7IOSe/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3
InChIKeyFPHGGTUBQKQTDI-UHFFFAOYSA-N
MW325.01 g/mol
LogP1.17
Rot. Bonds2

About Se-(4-iodophenyl) ethaneselenoate

Se-(4-iodophenyl) ethaneselenoate (PubChem CID 10782266) has the molecular formula C8H7IOSe and a molecular weight of 325.01 g/mol. Its IUPAC name is Se-(4-iodophenyl) ethaneselenoate.

Molecular Properties

Compound NameSe-(4-iodophenyl) ethaneselenoate
PubChem CID10782266
Molecular FormulaC8H7IOSe
Molecular Weight325.01 g/mol
Exact Mass325.87
IUPAC NameSe-(4-iodophenyl) ethaneselenoate
SMILESCC(=O)[Se]c1ccc(I)cc1
InChIInChI=1S/C8H7IOSe/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3
InChIKeyFPHGGTUBQKQTDI-UHFFFAOYSA-N
XLogP1.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.01
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Se-(4-iodophenyl) ethaneselenoate?
The IUPAC name of Se-(4-iodophenyl) ethaneselenoate (CID 10782266) is Se-(4-iodophenyl) ethaneselenoate.
What is the SMILES notation for Se-(4-iodophenyl) ethaneselenoate?
The canonical SMILES for Se-(4-iodophenyl) ethaneselenoate is CC(=O)[Se]c1ccc(I)cc1.
What is the InChIKey of Se-(4-iodophenyl) ethaneselenoate?
The InChIKey is FPHGGTUBQKQTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IOSe/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3.
What are the key properties of Se-(4-iodophenyl) ethaneselenoate?
Se-(4-iodophenyl) ethaneselenoate has a molecular weight of 325.01 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Se-(4-iodophenyl) ethaneselenoate is sourced from PubChem (CID 10782266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).