2-(furan-2-yl)-5-(5-iodofuran-2-yl)furan

C12H7IO3 — CID 139844374

IUPAC2-(furan-2-yl)-5-(5-iodofuran-2-yl)furan
SMILESIc1ccc(-c2ccc(-c3ccco3)o2)o1
InChIInChI=1S/C12H7IO3/c13-12-6-5-11(16-12)10-4-3-9(15-10)8-2-1-7-14-8/h1-7H
InChIKeyBAGGSLCMVUFJRR-UHFFFAOYSA-N
MW326.09 g/mol
LogP4.40
Rot. Bonds2

About 2-(furan-2-yl)-5-(5-iodofuran-2-yl)furan

2-(furan-2-yl)-5-(5-iodofuran-2-yl)furan (PubChem CID 139844374) has the molecular formula C12H7IO3 and a molecular weight of 326.09 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-(5-iodofuran-2-yl)furan.

Molecular Properties

Compound Name2-(furan-2-yl)-5-(5-iodofuran-2-yl)furan
PubChem CID139844374
Molecular FormulaC12H7IO3
Molecular Weight326.09 g/mol
Exact Mass325.94
IUPAC Name2-(furan-2-yl)-5-(5-iodofuran-2-yl)furan
SMILESIc1ccc(-c2ccc(-c3ccco3)o2)o1
InChIInChI=1S/C12H7IO3/c13-12-6-5-11(16-12)10-4-3-9(15-10)8-2-1-7-14-8/h1-7H
InChIKeyBAGGSLCMVUFJRR-UHFFFAOYSA-N
XLogP4.40
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.09
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-(furan-2-yl)furan
CID 161366084
2-iodofuran
CID 11564629
2,3,5-tris(furan-2-yl)-4-iodofuran
CID 101139326
furo[3,2-b]pyran-2-one
CID 66988439
2-(furan-2-yl)-6-phenylpyran-4-one
CID 10657547
5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-[5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-3-hexylfuran-2-yl]-3-hexylfuran
CID 102128857
[5-(furan-2-yl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone
CID 71690133
5-(furan-2-yl)-2-methyl-1,3-oxazole
CID 14248637
2,5-bis[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-3-hexylfuran;2,5-bis[5-(furan-2-yl)furan-2-yl]-3-octylfuran
CID 158695408
2,5-bis[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-3-octylfuran
CID 90250758
5-(furan-2-yl)-N-(3-methoxyphenyl)furan-2-carboxamide
CID 71690130
4,6-difluoro-2-(furan-2-yl)-5-iodopyrimidine
CID 164652077

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-(5-iodofuran-2-yl)furan?
The IUPAC name of 2-(furan-2-yl)-5-(5-iodofuran-2-yl)furan (CID 139844374) is 2-(furan-2-yl)-5-(5-iodofuran-2-yl)furan.
What is the SMILES notation for 2-(furan-2-yl)-5-(5-iodofuran-2-yl)furan?
The canonical SMILES for 2-(furan-2-yl)-5-(5-iodofuran-2-yl)furan is Ic1ccc(-c2ccc(-c3ccco3)o2)o1.
What is the InChIKey of 2-(furan-2-yl)-5-(5-iodofuran-2-yl)furan?
The InChIKey is BAGGSLCMVUFJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7IO3/c13-12-6-5-11(16-12)10-4-3-9(15-10)8-2-1-7-14-8/h1-7H.
What are the key properties of 2-(furan-2-yl)-5-(5-iodofuran-2-yl)furan?
2-(furan-2-yl)-5-(5-iodofuran-2-yl)furan has a molecular weight of 326.09 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-(5-iodofuran-2-yl)furan is sourced from PubChem (CID 139844374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).