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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Related Compounds

6-Chloro-1,4-dihydro-1,4-epoxynaphthalene
CID 14208771
(1S,8R)-4-chloro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
CID 10559248
3,4-Dichloro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
CID 14342724
5-Chloro-1,4-dihydro-1,4-epoxynaphthalene
CID 15062458
(1S)-6-chloro-1-ethenyl-3,4-dihydro-1H-isochromene
CID 134959730
(1S,8R)-4-chloro-3-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
CID 10797974
5-Chloro-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran
CID 56932728
4-Chloro-2-(methoxymethyl)-1-(trifluoromethyl)benzene
CID 68349793
4-Chloro-1-(methoxymethyl)-2-(trifluoromethyl)benzene
CID 89476469
2-[4-Chloro-2-(trifluoromethyl)phenyl]oxolane
CID 141396711
6-Chloro-1-(4,4,4-trifluorobutyl)-1,3-dihydro-2-benzofuran
CID 175024629
3,6-Dichloro-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
CID 14342723

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).