1-(5,7-diiodo-1-benzofuran-2-yl)ethanone

C10H6I2O2 — CID 118140671

IUPAC1-(5,7-diiodo-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1cc2cc(I)cc(I)c2o1
InChIInChI=1S/C10H6I2O2/c1-5(13)9-3-6-2-7(11)4-8(12)10(6)14-9/h2-4H,1H3
InChIKeyFYVRIJOOHPYPEZ-UHFFFAOYSA-N
MW411.96 g/mol
LogP3.84
Rot. Bonds1

About 1-(5,7-diiodo-1-benzofuran-2-yl)ethanone

1-(5,7-diiodo-1-benzofuran-2-yl)ethanone (PubChem CID 118140671) has the molecular formula C10H6I2O2 and a molecular weight of 411.96 g/mol. Its IUPAC name is 1-(5,7-diiodo-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(5,7-diiodo-1-benzofuran-2-yl)ethanone
PubChem CID118140671
Molecular FormulaC10H6I2O2
Molecular Weight411.96 g/mol
Exact Mass411.85
IUPAC Name1-(5,7-diiodo-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1cc2cc(I)cc(I)c2o1
InChIInChI=1S/C10H6I2O2/c1-5(13)9-3-6-2-7(11)4-8(12)10(6)14-9/h2-4H,1H3
InChIKeyFYVRIJOOHPYPEZ-UHFFFAOYSA-N
XLogP3.84
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.96
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5,7-diiodo-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(5,7-diiodo-1-benzofuran-2-yl)ethanone (CID 118140671) is 1-(5,7-diiodo-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(5,7-diiodo-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(5,7-diiodo-1-benzofuran-2-yl)ethanone is CC(=O)c1cc2cc(I)cc(I)c2o1.
What is the InChIKey of 1-(5,7-diiodo-1-benzofuran-2-yl)ethanone?
The InChIKey is FYVRIJOOHPYPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6I2O2/c1-5(13)9-3-6-2-7(11)4-8(12)10(6)14-9/h2-4H,1H3.
What are the key properties of 1-(5,7-diiodo-1-benzofuran-2-yl)ethanone?
1-(5,7-diiodo-1-benzofuran-2-yl)ethanone has a molecular weight of 411.96 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-diiodo-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 118140671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).