2-iodo-6,7-dihydro-5H-1-benzofuran-4-one

C8H7IO2 — CID 169089900

IUPAC2-iodo-6,7-dihydro-5H-1-benzofuran-4-one
SMILESO=C1CCCc2oc(I)cc21
InChIInChI=1S/C8H7IO2/c9-8-4-5-6(10)2-1-3-7(5)11-8/h4H,1-3H2
InChIKeyOFPOBWNEGFSWJZ-UHFFFAOYSA-N
MW262.05 g/mol
LogP2.40
Rot. Bonds

About 2-iodo-6,7-dihydro-5H-1-benzofuran-4-one

2-iodo-6,7-dihydro-5H-1-benzofuran-4-one (PubChem CID 169089900) has the molecular formula C8H7IO2 and a molecular weight of 262.05 g/mol. Its IUPAC name is 2-iodo-6,7-dihydro-5H-1-benzofuran-4-one.

Molecular Properties

Compound Name2-iodo-6,7-dihydro-5H-1-benzofuran-4-one
PubChem CID169089900
Molecular FormulaC8H7IO2
Molecular Weight262.05 g/mol
Exact Mass261.95
IUPAC Name2-iodo-6,7-dihydro-5H-1-benzofuran-4-one
SMILESO=C1CCCc2oc(I)cc21
InChIInChI=1S/C8H7IO2/c9-8-4-5-6(10)2-1-3-7(5)11-8/h4H,1-3H2
InChIKeyOFPOBWNEGFSWJZ-UHFFFAOYSA-N
XLogP2.40
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.05
LogP ≤ 52.40
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 2-iodo-6,7-dihydro-5H-1-benzofuran-4-one?
The IUPAC name of 2-iodo-6,7-dihydro-5H-1-benzofuran-4-one (CID 169089900) is 2-iodo-6,7-dihydro-5H-1-benzofuran-4-one.
What is the SMILES notation for 2-iodo-6,7-dihydro-5H-1-benzofuran-4-one?
The canonical SMILES for 2-iodo-6,7-dihydro-5H-1-benzofuran-4-one is O=C1CCCc2oc(I)cc21.
What is the InChIKey of 2-iodo-6,7-dihydro-5H-1-benzofuran-4-one?
The InChIKey is OFPOBWNEGFSWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IO2/c9-8-4-5-6(10)2-1-3-7(5)11-8/h4H,1-3H2.
What are the key properties of 2-iodo-6,7-dihydro-5H-1-benzofuran-4-one?
2-iodo-6,7-dihydro-5H-1-benzofuran-4-one has a molecular weight of 262.05 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-6,7-dihydro-5H-1-benzofuran-4-one is sourced from PubChem (CID 169089900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).