3-(2-iodophenoxy)azetidine

C9H10INO — CID 53409227

IUPAC3-(2-iodophenoxy)azetidine
SMILESIc1ccccc1OC1CNC1
InChIInChI=1S/C9H10INO/c10-8-3-1-2-4-9(8)12-7-5-11-6-7/h1-4,7,11H,5-6H2
InChIKeyJWODLTMIBDYGOU-UHFFFAOYSA-N
MW275.09 g/mol
LogP1.64
Rot. Bonds2

About 3-(2-iodophenoxy)azetidine

3-(2-iodophenoxy)azetidine (PubChem CID 53409227) has the molecular formula C9H10INO and a molecular weight of 275.09 g/mol. Its IUPAC name is 3-(2-iodophenoxy)azetidine.

Molecular Properties

Compound Name3-(2-iodophenoxy)azetidine
PubChem CID53409227
Molecular FormulaC9H10INO
Molecular Weight275.09 g/mol
Exact Mass274.98
IUPAC Name3-(2-iodophenoxy)azetidine
SMILESIc1ccccc1OC1CNC1
InChIInChI=1S/C9H10INO/c10-8-3-1-2-4-9(8)12-7-5-11-6-7/h1-4,7,11H,5-6H2
InChIKeyJWODLTMIBDYGOU-UHFFFAOYSA-N
XLogP1.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-iodophenoxy)azetidine?
The IUPAC name of 3-(2-iodophenoxy)azetidine (CID 53409227) is 3-(2-iodophenoxy)azetidine.
What is the SMILES notation for 3-(2-iodophenoxy)azetidine?
The canonical SMILES for 3-(2-iodophenoxy)azetidine is Ic1ccccc1OC1CNC1.
What is the InChIKey of 3-(2-iodophenoxy)azetidine?
The InChIKey is JWODLTMIBDYGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO/c10-8-3-1-2-4-9(8)12-7-5-11-6-7/h1-4,7,11H,5-6H2.
What are the key properties of 3-(2-iodophenoxy)azetidine?
3-(2-iodophenoxy)azetidine has a molecular weight of 275.09 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodophenoxy)azetidine is sourced from PubChem (CID 53409227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).