3-(2-iodophenyl)oxetane

C9H9IO — CID 73425043

IUPAC3-(2-iodophenyl)oxetane
SMILESIc1ccccc1C1COC1
InChIInChI=1S/C9H9IO/c10-9-4-2-1-3-8(9)7-5-11-6-7/h1-4,7H,5-6H2
InChIKeyJQOUDRSLCHNFTA-UHFFFAOYSA-N
MW260.07 g/mol
LogP2.40
Rot. Bonds1

About 3-(2-iodophenyl)oxetane

3-(2-iodophenyl)oxetane (PubChem CID 73425043) has the molecular formula C9H9IO and a molecular weight of 260.07 g/mol. Its IUPAC name is 3-(2-iodophenyl)oxetane.

Molecular Properties

Compound Name3-(2-iodophenyl)oxetane
PubChem CID73425043
Molecular FormulaC9H9IO
Molecular Weight260.07 g/mol
Exact Mass259.97
IUPAC Name3-(2-iodophenyl)oxetane
SMILESIc1ccccc1C1COC1
InChIInChI=1S/C9H9IO/c10-9-4-2-1-3-8(9)7-5-11-6-7/h1-4,7H,5-6H2
InChIKeyJQOUDRSLCHNFTA-UHFFFAOYSA-N
XLogP2.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.07
LogP ≤ 52.40
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)oxetane?
The IUPAC name of 3-(2-iodophenyl)oxetane (CID 73425043) is 3-(2-iodophenyl)oxetane.
What is the SMILES notation for 3-(2-iodophenyl)oxetane?
The canonical SMILES for 3-(2-iodophenyl)oxetane is Ic1ccccc1C1COC1.
What is the InChIKey of 3-(2-iodophenyl)oxetane?
The InChIKey is JQOUDRSLCHNFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IO/c10-9-4-2-1-3-8(9)7-5-11-6-7/h1-4,7H,5-6H2.
What are the key properties of 3-(2-iodophenyl)oxetane?
3-(2-iodophenyl)oxetane has a molecular weight of 260.07 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodophenyl)oxetane is sourced from PubChem (CID 73425043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).