5-iodo-2-methyl-1-benzofuran

C9H7IO — CID 3856046

IUPAC5-iodo-2-methyl-1-benzofuran
SMILESCc1cc2cc(I)ccc2o1
InChIInChI=1S/C9H7IO/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5H,1H3
InChIKeyRUKAGZXVAJDQAD-UHFFFAOYSA-N
MW258.06 g/mol
LogP3.35
Rot. Bonds

About 5-iodo-2-methyl-1-benzofuran

5-iodo-2-methyl-1-benzofuran (PubChem CID 3856046) has the molecular formula C9H7IO and a molecular weight of 258.06 g/mol. Its IUPAC name is 5-iodo-2-methyl-1-benzofuran.

Molecular Properties

Compound Name5-iodo-2-methyl-1-benzofuran
PubChem CID3856046
Molecular FormulaC9H7IO
Molecular Weight258.06 g/mol
Exact Mass257.95
IUPAC Name5-iodo-2-methyl-1-benzofuran
SMILESCc1cc2cc(I)ccc2o1
InChIInChI=1S/C9H7IO/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5H,1H3
InChIKeyRUKAGZXVAJDQAD-UHFFFAOYSA-N
XLogP3.35
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.06
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-methyl-1-benzofuran?
The IUPAC name of 5-iodo-2-methyl-1-benzofuran (CID 3856046) is 5-iodo-2-methyl-1-benzofuran.
What is the SMILES notation for 5-iodo-2-methyl-1-benzofuran?
The canonical SMILES for 5-iodo-2-methyl-1-benzofuran is Cc1cc2cc(I)ccc2o1.
What is the InChIKey of 5-iodo-2-methyl-1-benzofuran?
The InChIKey is RUKAGZXVAJDQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IO/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5H,1H3.
What are the key properties of 5-iodo-2-methyl-1-benzofuran?
5-iodo-2-methyl-1-benzofuran has a molecular weight of 258.06 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-methyl-1-benzofuran is sourced from PubChem (CID 3856046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).