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

C16H17NO — CID 46204424

IUPAC3-[3-(3-methylphenyl)phenoxy]azetidine
SMILESCc1cccc(-c2cccc(OC3CNC3)c2)c1
InChIInChI=1S/C16H17NO/c1-12-4-2-5-13(8-12)14-6-3-7-15(9-14)18-16-10-17-11-16/h2-9,16-17H,10-11H2,1H3
InChIKeyHUURPVXREOLOKU-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.01
Rot. Bonds3

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

3-[3-(3-methylphenyl)phenoxy]azetidine (PubChem CID 46204424) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[3-(3-methylphenyl)phenoxy]azetidine.

Molecular Properties

Compound Name3-[3-(3-methylphenyl)phenoxy]azetidine
PubChem CID46204424
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name3-[3-(3-methylphenyl)phenoxy]azetidine
SMILESCc1cccc(-c2cccc(OC3CNC3)c2)c1
InChIInChI=1S/C16H17NO/c1-12-4-2-5-13(8-12)14-6-3-7-15(9-14)18-16-10-17-11-16/h2-9,16-17H,10-11H2,1H3
InChIKeyHUURPVXREOLOKU-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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Related Compounds

5-(3-methylphenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 115030262
(3R)-3-(3-methylphenoxy)pyrrolidine
CID 24795651
3-(3-methylphenoxy)pyrrolidine
CID 18337170
ethane;1-methoxy-3-(3-methylphenyl)benzene
CID 142945497
(3-methylphenoxy)cyclononane
CID 145391482
N-[3-(azetidin-3-yloxy)phenyl]acetamide
CID 53410782
1-methyl-3-[3-(3-phenoxyphenyl)phenyl]benzene
CID 134391841
4-(3-cyclopropyloxyphenyl)-2-methylphenol
CID 114523617
1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(3-methylphenyl)imidazole
CID 104874886
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
2,2,2-trifluoroacetic acid;3-[3-(trifluoromethyl)phenoxy]azetidine
CID 130472690

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methylphenyl)phenoxy]azetidine?
The IUPAC name of 3-[3-(3-methylphenyl)phenoxy]azetidine (CID 46204424) is 3-[3-(3-methylphenyl)phenoxy]azetidine.
What is the SMILES notation for 3-[3-(3-methylphenyl)phenoxy]azetidine?
The canonical SMILES for 3-[3-(3-methylphenyl)phenoxy]azetidine is Cc1cccc(-c2cccc(OC3CNC3)c2)c1.
What is the InChIKey of 3-[3-(3-methylphenyl)phenoxy]azetidine?
The InChIKey is HUURPVXREOLOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-12-4-2-5-13(8-12)14-6-3-7-15(9-14)18-16-10-17-11-16/h2-9,16-17H,10-11H2,1H3.
What are the key properties of 3-[3-(3-methylphenyl)phenoxy]azetidine?
3-[3-(3-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-(3-methylphenyl)phenoxy]azetidine is sourced from PubChem (CID 46204424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).