3-[3-(2-methylphenyl)phenoxy]azetidine

C16H17NO — CID 46204425

IUPAC3-[3-(2-methylphenyl)phenoxy]azetidine
SMILESCc1ccccc1-c1cccc(OC2CNC2)c1
InChIInChI=1S/C16H17NO/c1-12-5-2-3-8-16(12)13-6-4-7-14(9-13)18-15-10-17-11-15/h2-9,15,17H,10-11H2,1H3
InChIKeyJYQPLHSVMUWBDE-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.01
Rot. Bonds3

About 3-[3-(2-methylphenyl)phenoxy]azetidine

3-[3-(2-methylphenyl)phenoxy]azetidine (PubChem CID 46204425) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[3-(2-methylphenyl)phenoxy]azetidine.

Molecular Properties

Compound Name3-[3-(2-methylphenyl)phenoxy]azetidine
PubChem CID46204425
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name3-[3-(2-methylphenyl)phenoxy]azetidine
SMILESCc1ccccc1-c1cccc(OC2CNC2)c1
InChIInChI=1S/C16H17NO/c1-12-5-2-3-8-16(12)13-6-4-7-14(9-13)18-15-10-17-11-15/h2-9,15,17H,10-11H2,1H3
InChIKeyJYQPLHSVMUWBDE-UHFFFAOYSA-N
XLogP3.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylphenyl)phenoxy]azetidine?
The IUPAC name of 3-[3-(2-methylphenyl)phenoxy]azetidine (CID 46204425) is 3-[3-(2-methylphenyl)phenoxy]azetidine.
What is the SMILES notation for 3-[3-(2-methylphenyl)phenoxy]azetidine?
The canonical SMILES for 3-[3-(2-methylphenyl)phenoxy]azetidine is Cc1ccccc1-c1cccc(OC2CNC2)c1.
What is the InChIKey of 3-[3-(2-methylphenyl)phenoxy]azetidine?
The InChIKey is JYQPLHSVMUWBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-12-5-2-3-8-16(12)13-6-4-7-14(9-13)18-15-10-17-11-15/h2-9,15,17H,10-11H2,1H3.
What are the key properties of 3-[3-(2-methylphenyl)phenoxy]azetidine?
3-[3-(2-methylphenyl)phenoxy]azetidine has a molecular weight of 239.32 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylphenyl)phenoxy]azetidine is sourced from PubChem (CID 46204425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).