3-[2-(4-iodophenoxy)ethyl]azetidine

C11H14INO — CID 107391676

IUPAC3-[2-(4-iodophenoxy)ethyl]azetidine
SMILESIc1ccc(OCCC2CNC2)cc1
InChIInChI=1S/C11H14INO/c12-10-1-3-11(4-2-10)14-6-5-9-7-13-8-9/h1-4,9,13H,5-8H2
InChIKeyBHGXIUPQAOBKQR-UHFFFAOYSA-N
MW303.14 g/mol
LogP2.28
Rot. Bonds4

About 3-[2-(4-iodophenoxy)ethyl]azetidine

3-[2-(4-iodophenoxy)ethyl]azetidine (PubChem CID 107391676) has the molecular formula C11H14INO and a molecular weight of 303.14 g/mol. Its IUPAC name is 3-[2-(4-iodophenoxy)ethyl]azetidine.

Molecular Properties

Compound Name3-[2-(4-iodophenoxy)ethyl]azetidine
PubChem CID107391676
Molecular FormulaC11H14INO
Molecular Weight303.14 g/mol
Exact Mass303.01
IUPAC Name3-[2-(4-iodophenoxy)ethyl]azetidine
SMILESIc1ccc(OCCC2CNC2)cc1
InChIInChI=1S/C11H14INO/c12-10-1-3-11(4-2-10)14-6-5-9-7-13-8-9/h1-4,9,13H,5-8H2
InChIKeyBHGXIUPQAOBKQR-UHFFFAOYSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[2-(4-iodophenoxy)ethyl]piperidine
CID 86321285
3-[2-(3,4-dimethylphenoxy)ethyl]azetidine
CID 107391539
3-[2-(4-benzylphenoxy)ethyl]azetidine
CID 107391708
3-[2-(1,3-benzodioxol-5-yloxy)ethyl]azetidine
CID 107391556
3-[2-(azetidin-3-yl)ethoxy]pyridine
CID 107391839
1-(3-cyclopropylpropoxy)-4-[4-(4-iodophenyl)phenyl]benzene
CID 163951571
2-[2-(4-iodophenoxy)ethyl]-1,3-dioxane
CID 66472751
1-fluoro-4-[2-(4-iodophenoxy)ethoxy]benzene
CID 141496951
1-iodo-4-(3-phenoxypropoxy)benzene
CID 60665273
3-[2-(4-methylphenoxy)ethyl]piperidine
CID 45075559
(3R)-3-(2-phenoxyethyl)piperidine
CID 26192392
4-[2-(4-bromophenoxy)ethyl]piperidine
CID 56830278

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-iodophenoxy)ethyl]azetidine?
The IUPAC name of 3-[2-(4-iodophenoxy)ethyl]azetidine (CID 107391676) is 3-[2-(4-iodophenoxy)ethyl]azetidine.
What is the SMILES notation for 3-[2-(4-iodophenoxy)ethyl]azetidine?
The canonical SMILES for 3-[2-(4-iodophenoxy)ethyl]azetidine is Ic1ccc(OCCC2CNC2)cc1.
What is the InChIKey of 3-[2-(4-iodophenoxy)ethyl]azetidine?
The InChIKey is BHGXIUPQAOBKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO/c12-10-1-3-11(4-2-10)14-6-5-9-7-13-8-9/h1-4,9,13H,5-8H2.
What are the key properties of 3-[2-(4-iodophenoxy)ethyl]azetidine?
3-[2-(4-iodophenoxy)ethyl]azetidine has a molecular weight of 303.14 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-iodophenoxy)ethyl]azetidine is sourced from PubChem (CID 107391676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).