1-(1-benzofuran-3-yl)-2-(2-iodophenoxy)ethanone

C16H11IO3 — CID 62032360

IUPAC1-(1-benzofuran-3-yl)-2-(2-iodophenoxy)ethanone
SMILESO=C(COc1ccccc1I)c1coc2ccccc12
InChIInChI=1S/C16H11IO3/c17-13-6-2-4-8-16(13)20-10-14(18)12-9-19-15-7-3-1-5-11(12)15/h1-9H,10H2
InChIKeyNWGUBSHIZCEJMO-UHFFFAOYSA-N
MW378.17 g/mol
LogP4.30
Rot. Bonds4

About 1-(1-benzofuran-3-yl)-2-(2-iodophenoxy)ethanone

1-(1-benzofuran-3-yl)-2-(2-iodophenoxy)ethanone (PubChem CID 62032360) has the molecular formula C16H11IO3 and a molecular weight of 378.17 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-(2-iodophenoxy)ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-(2-iodophenoxy)ethanone
PubChem CID62032360
Molecular FormulaC16H11IO3
Molecular Weight378.17 g/mol
Exact Mass377.98
IUPAC Name1-(1-benzofuran-3-yl)-2-(2-iodophenoxy)ethanone
SMILESO=C(COc1ccccc1I)c1coc2ccccc12
InChIInChI=1S/C16H11IO3/c17-13-6-2-4-8-16(13)20-10-14(18)12-9-19-15-7-3-1-5-11(12)15/h1-9H,10H2
InChIKeyNWGUBSHIZCEJMO-UHFFFAOYSA-N
XLogP4.30
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.17
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(1-benzofuran-3-yl)-2-(2-iodophenoxy)ethanone?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-(2-iodophenoxy)ethanone (CID 62032360) is 1-(1-benzofuran-3-yl)-2-(2-iodophenoxy)ethanone.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-(2-iodophenoxy)ethanone?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-(2-iodophenoxy)ethanone is O=C(COc1ccccc1I)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-(2-iodophenoxy)ethanone?
The InChIKey is NWGUBSHIZCEJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11IO3/c17-13-6-2-4-8-16(13)20-10-14(18)12-9-19-15-7-3-1-5-11(12)15/h1-9H,10H2.
What are the key properties of 1-(1-benzofuran-3-yl)-2-(2-iodophenoxy)ethanone?
1-(1-benzofuran-3-yl)-2-(2-iodophenoxy)ethanone has a molecular weight of 378.17 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-(2-iodophenoxy)ethanone is sourced from PubChem (CID 62032360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).