3-(2-iodophenyl)benzo[g][1]benzofuran

C18H11IO — CID 155128272

IUPAC3-(2-iodophenyl)benzo[g][1]benzofuran
SMILESIc1ccccc1-c1coc2c1ccc1ccccc12
InChIInChI=1S/C18H11IO/c19-17-8-4-3-7-14(17)16-11-20-18-13-6-2-1-5-12(13)9-10-15(16)18/h1-11H
InChIKeySZPHBGGILQTXFU-UHFFFAOYSA-N
MW370.19 g/mol
LogP5.86
Rot. Bonds1

About 3-(2-iodophenyl)benzo[g][1]benzofuran

3-(2-iodophenyl)benzo[g][1]benzofuran (PubChem CID 155128272) has the molecular formula C18H11IO and a molecular weight of 370.19 g/mol. Its IUPAC name is 3-(2-iodophenyl)benzo[g][1]benzofuran.

Molecular Properties

Compound Name3-(2-iodophenyl)benzo[g][1]benzofuran
PubChem CID155128272
Molecular FormulaC18H11IO
Molecular Weight370.19 g/mol
Exact Mass369.99
IUPAC Name3-(2-iodophenyl)benzo[g][1]benzofuran
SMILESIc1ccccc1-c1coc2c1ccc1ccccc12
InChIInChI=1S/C18H11IO/c19-17-8-4-3-7-14(17)16-11-20-18-13-6-2-1-5-12(13)9-10-15(16)18/h1-11H
InChIKeySZPHBGGILQTXFU-UHFFFAOYSA-N
XLogP5.86
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.19
LogP ≤ 55.86
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 3-(2-iodophenyl)benzo[g][1]benzofuran?
The IUPAC name of 3-(2-iodophenyl)benzo[g][1]benzofuran (CID 155128272) is 3-(2-iodophenyl)benzo[g][1]benzofuran.
What is the SMILES notation for 3-(2-iodophenyl)benzo[g][1]benzofuran?
The canonical SMILES for 3-(2-iodophenyl)benzo[g][1]benzofuran is Ic1ccccc1-c1coc2c1ccc1ccccc12.
What is the InChIKey of 3-(2-iodophenyl)benzo[g][1]benzofuran?
The InChIKey is SZPHBGGILQTXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11IO/c19-17-8-4-3-7-14(17)16-11-20-18-13-6-2-1-5-12(13)9-10-15(16)18/h1-11H.
What are the key properties of 3-(2-iodophenyl)benzo[g][1]benzofuran?
3-(2-iodophenyl)benzo[g][1]benzofuran has a molecular weight of 370.19 g/mol, XLogP of 5.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodophenyl)benzo[g][1]benzofuran is sourced from PubChem (CID 155128272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).