7-iodo-4-methoxy-1-benzofuran

C9H7IO2 — CID 166610141

IUPAC7-iodo-4-methoxy-1-benzofuran
SMILESCOc1ccc(I)c2occc12
InChIInChI=1S/C9H7IO2/c1-11-8-3-2-7(10)9-6(8)4-5-12-9/h2-5H,1H3
InChIKeyVDUKSNIINCVFNZ-UHFFFAOYSA-N
MW274.06 g/mol
LogP3.05
Rot. Bonds1

About 7-iodo-4-methoxy-1-benzofuran

7-iodo-4-methoxy-1-benzofuran (PubChem CID 166610141) has the molecular formula C9H7IO2 and a molecular weight of 274.06 g/mol. Its IUPAC name is 7-iodo-4-methoxy-1-benzofuran.

Molecular Properties

Compound Name7-iodo-4-methoxy-1-benzofuran
PubChem CID166610141
Molecular FormulaC9H7IO2
Molecular Weight274.06 g/mol
Exact Mass273.95
IUPAC Name7-iodo-4-methoxy-1-benzofuran
SMILESCOc1ccc(I)c2occc12
InChIInChI=1S/C9H7IO2/c1-11-8-3-2-7(10)9-6(8)4-5-12-9/h2-5H,1H3
InChIKeyVDUKSNIINCVFNZ-UHFFFAOYSA-N
XLogP3.05
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.06
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-iodo-4-methoxy-1-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-iodo-4-methoxy-1-benzofuran?
The IUPAC name of 7-iodo-4-methoxy-1-benzofuran (CID 166610141) is 7-iodo-4-methoxy-1-benzofuran.
What is the SMILES notation for 7-iodo-4-methoxy-1-benzofuran?
The canonical SMILES for 7-iodo-4-methoxy-1-benzofuran is COc1ccc(I)c2occc12.
What is the InChIKey of 7-iodo-4-methoxy-1-benzofuran?
The InChIKey is VDUKSNIINCVFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IO2/c1-11-8-3-2-7(10)9-6(8)4-5-12-9/h2-5H,1H3.
What are the key properties of 7-iodo-4-methoxy-1-benzofuran?
7-iodo-4-methoxy-1-benzofuran has a molecular weight of 274.06 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-4-methoxy-1-benzofuran is sourced from PubChem (CID 166610141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).