2,8-diiododibenzofuran

C12H6I2O — CID 634525

IUPAC2,8-diiododibenzofuran
SMILESIc1ccc2oc3ccc(I)cc3c2c1
InChIInChI=1S/C12H6I2O/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H
InChIKeyVKTLGHDNPWVFSY-UHFFFAOYSA-N
MW419.99 g/mol
LogP4.80
Rot. Bonds

About 2,8-diiododibenzofuran

2,8-diiododibenzofuran (PubChem CID 634525) has the molecular formula C12H6I2O and a molecular weight of 419.99 g/mol. Its IUPAC name is 2,8-diiododibenzofuran.

Molecular Properties

Compound Name2,8-diiododibenzofuran
PubChem CID634525
Molecular FormulaC12H6I2O
Molecular Weight419.99 g/mol
Exact Mass419.85
IUPAC Name2,8-diiododibenzofuran
SMILESIc1ccc2oc3ccc(I)cc3c2c1
InChIInChI=1S/C12H6I2O/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H
InChIKeyVKTLGHDNPWVFSY-UHFFFAOYSA-N
XLogP4.80
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.99
LogP ≤ 54.80
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

Benzofuran
CID 9223
Dibenzofuran
CID 568
Benziodarone
CID 6237
2-Chlorodibenzofuran
CID 32781
Anthocyanins
CID 145858
2,8-Dichlorodibenzofuran
CID 21510
2,3-Dimethylbenzofuran
CID 2734646
2,8-Dibromodibenzofuran
CID 82290
2-Bromodibenzofuran
CID 6856
1-Chlorodibenzofuran
CID 55293
2-Methylbenzofuran
CID 20263
2,5-Diphenylfuran
CID 70387

Frequently Asked Questions

What is the IUPAC name of 2,8-diiododibenzofuran?
The IUPAC name of 2,8-diiododibenzofuran (CID 634525) is 2,8-diiododibenzofuran.
What is the SMILES notation for 2,8-diiododibenzofuran?
The canonical SMILES for 2,8-diiododibenzofuran is Ic1ccc2oc3ccc(I)cc3c2c1.
What is the InChIKey of 2,8-diiododibenzofuran?
The InChIKey is VKTLGHDNPWVFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6I2O/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H.
What are the key properties of 2,8-diiododibenzofuran?
2,8-diiododibenzofuran has a molecular weight of 419.99 g/mol, XLogP of 4.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diiododibenzofuran is sourced from PubChem (CID 634525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).