5-iodo-2,3-dihydro-1-benzofuran

C8H7IO — CID 2736133

IUPAC5-iodo-2,3-dihydro-1-benzofuran
SMILESIc1ccc2c(c1)CCO2
InChIInChI=1S/C8H7IO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5H,3-4H2
InChIKeyBSLVNOLUEJOXMR-UHFFFAOYSA-N
MW246.05 g/mol
LogP2.23
Rot. Bonds

About 5-iodo-2,3-dihydro-1-benzofuran

5-iodo-2,3-dihydro-1-benzofuran (PubChem CID 2736133) has the molecular formula C8H7IO and a molecular weight of 246.05 g/mol. Its IUPAC name is 5-iodo-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-iodo-2,3-dihydro-1-benzofuran
PubChem CID2736133
Molecular FormulaC8H7IO
Molecular Weight246.05 g/mol
Exact Mass245.95
IUPAC Name5-iodo-2,3-dihydro-1-benzofuran
SMILESIc1ccc2c(c1)CCO2
InChIInChI=1S/C8H7IO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5H,3-4H2
InChIKeyBSLVNOLUEJOXMR-UHFFFAOYSA-N
XLogP2.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.05
LogP ≤ 52.23
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-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-iodo-2,3-dihydro-1-benzofuran (CID 2736133) is 5-iodo-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-iodo-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-iodo-2,3-dihydro-1-benzofuran is Ic1ccc2c(c1)CCO2.
What is the InChIKey of 5-iodo-2,3-dihydro-1-benzofuran?
The InChIKey is BSLVNOLUEJOXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5H,3-4H2.
What are the key properties of 5-iodo-2,3-dihydro-1-benzofuran?
5-iodo-2,3-dihydro-1-benzofuran has a molecular weight of 246.05 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 2736133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).