5-chloro-6-iodo-1,3-dihydro-2-benzofuran

C8H6ClIO — CID 166545060

IUPAC5-chloro-6-iodo-1,3-dihydro-2-benzofuran
SMILESClc1cc2c(cc1I)COC2
InChIInChI=1S/C8H6ClIO/c9-7-1-5-3-11-4-6(5)2-8(7)10/h1-2H,3-4H2
InChIKeyWIZJYKWORXXOCL-UHFFFAOYSA-N
MW280.49 g/mol
LogP2.97
Rot. Bonds

About 5-chloro-6-iodo-1,3-dihydro-2-benzofuran

5-chloro-6-iodo-1,3-dihydro-2-benzofuran (PubChem CID 166545060) has the molecular formula C8H6ClIO and a molecular weight of 280.49 g/mol. Its IUPAC name is 5-chloro-6-iodo-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name5-chloro-6-iodo-1,3-dihydro-2-benzofuran
PubChem CID166545060
Molecular FormulaC8H6ClIO
Molecular Weight280.49 g/mol
Exact Mass279.92
IUPAC Name5-chloro-6-iodo-1,3-dihydro-2-benzofuran
SMILESClc1cc2c(cc1I)COC2
InChIInChI=1S/C8H6ClIO/c9-7-1-5-3-11-4-6(5)2-8(7)10/h1-2H,3-4H2
InChIKeyWIZJYKWORXXOCL-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.49
LogP ≤ 52.97
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-chloro-6-iodo-1,3-dihydro-2-benzofuran?
The IUPAC name of 5-chloro-6-iodo-1,3-dihydro-2-benzofuran (CID 166545060) is 5-chloro-6-iodo-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 5-chloro-6-iodo-1,3-dihydro-2-benzofuran?
The canonical SMILES for 5-chloro-6-iodo-1,3-dihydro-2-benzofuran is Clc1cc2c(cc1I)COC2.
What is the InChIKey of 5-chloro-6-iodo-1,3-dihydro-2-benzofuran?
The InChIKey is WIZJYKWORXXOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClIO/c9-7-1-5-3-11-4-6(5)2-8(7)10/h1-2H,3-4H2.
What are the key properties of 5-chloro-6-iodo-1,3-dihydro-2-benzofuran?
5-chloro-6-iodo-1,3-dihydro-2-benzofuran has a molecular weight of 280.49 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-iodo-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 166545060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).