2,3,5-tris(furan-2-yl)-4-iodofuran

C16H9IO4 — CID 101139326

IUPAC2,3,5-tris(furan-2-yl)-4-iodofuran
SMILESIc1c(-c2ccco2)oc(-c2ccco2)c1-c1ccco1
InChIInChI=1S/C16H9IO4/c17-14-13(10-4-1-7-18-10)15(11-5-2-8-19-11)21-16(14)12-6-3-9-20-12/h1-9H
InChIKeyOPJNLXFSHGQYBJ-UHFFFAOYSA-N
MW392.15 g/mol
LogP5.66
Rot. Bonds3

About 2,3,5-tris(furan-2-yl)-4-iodofuran

2,3,5-tris(furan-2-yl)-4-iodofuran (PubChem CID 101139326) has the molecular formula C16H9IO4 and a molecular weight of 392.15 g/mol. Its IUPAC name is 2,3,5-tris(furan-2-yl)-4-iodofuran.

Molecular Properties

Compound Name2,3,5-tris(furan-2-yl)-4-iodofuran
PubChem CID101139326
Molecular FormulaC16H9IO4
Molecular Weight392.15 g/mol
Exact Mass391.95
IUPAC Name2,3,5-tris(furan-2-yl)-4-iodofuran
SMILESIc1c(-c2ccco2)oc(-c2ccco2)c1-c1ccco1
InChIInChI=1S/C16H9IO4/c17-14-13(10-4-1-7-18-10)15(11-5-2-8-19-11)21-16(14)12-6-3-9-20-12/h1-9H
InChIKeyOPJNLXFSHGQYBJ-UHFFFAOYSA-N
XLogP5.66
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.15
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-tris(furan-2-yl)-4-iodofuran?
The IUPAC name of 2,3,5-tris(furan-2-yl)-4-iodofuran (CID 101139326) is 2,3,5-tris(furan-2-yl)-4-iodofuran.
What is the SMILES notation for 2,3,5-tris(furan-2-yl)-4-iodofuran?
The canonical SMILES for 2,3,5-tris(furan-2-yl)-4-iodofuran is Ic1c(-c2ccco2)oc(-c2ccco2)c1-c1ccco1.
What is the InChIKey of 2,3,5-tris(furan-2-yl)-4-iodofuran?
The InChIKey is OPJNLXFSHGQYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9IO4/c17-14-13(10-4-1-7-18-10)15(11-5-2-8-19-11)21-16(14)12-6-3-9-20-12/h1-9H.
What are the key properties of 2,3,5-tris(furan-2-yl)-4-iodofuran?
2,3,5-tris(furan-2-yl)-4-iodofuran has a molecular weight of 392.15 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-tris(furan-2-yl)-4-iodofuran is sourced from PubChem (CID 101139326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).