3-(5-chloro-2-phenylmethoxyphenoxy)azetidine

C16H16ClNO2 — CID 58405156

IUPAC3-(5-chloro-2-phenylmethoxyphenoxy)azetidine
SMILESClc1ccc(OCc2ccccc2)c(OC2CNC2)c1
InChIInChI=1S/C16H16ClNO2/c17-13-6-7-15(16(8-13)20-14-9-18-10-14)19-11-12-4-2-1-3-5-12/h1-8,14,18H,9-11H2
InChIKeyGFOGKOGOIFYZAX-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.27
Rot. Bonds5

About 3-(5-chloro-2-phenylmethoxyphenoxy)azetidine

3-(5-chloro-2-phenylmethoxyphenoxy)azetidine (PubChem CID 58405156) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 3-(5-chloro-2-phenylmethoxyphenoxy)azetidine.

Molecular Properties

Compound Name3-(5-chloro-2-phenylmethoxyphenoxy)azetidine
PubChem CID58405156
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name3-(5-chloro-2-phenylmethoxyphenoxy)azetidine
SMILESClc1ccc(OCc2ccccc2)c(OC2CNC2)c1
InChIInChI=1S/C16H16ClNO2/c17-13-6-7-15(16(8-13)20-14-9-18-10-14)19-11-12-4-2-1-3-5-12/h1-8,14,18H,9-11H2
InChIKeyGFOGKOGOIFYZAX-UHFFFAOYSA-N
XLogP3.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine
CID 58405050
3-(azetidin-3-yloxy)-5-chloro-2-phenylmethoxypyridine
CID 58405049
3-[5-bromo-2-[(4-chlorophenyl)methoxy]phenoxy]azetidine
CID 46215489
3-[5-chloro-2-[(3-methylsulfonylphenyl)methoxy]phenoxy]azetidine
CID 58405228
3-[2-[(3-chlorophenyl)methoxy]-5-fluorophenoxy]azetidine
CID 46214825
3-[5-chloro-2-[2-(4-chlorophenyl)ethoxy]phenoxy]azetidine
CID 58405106
3-[5-chloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine
CID 58405153
3-[5-chloro-2-[2-(2-chlorophenyl)ethoxy]phenoxy]azetidine
CID 90792059
2-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-4-(trifluoromethyl)pyridine
CID 58405172
3-[5-chloro-2-(4-chlorophenoxy)phenoxy]azetidine
CID 46215141
3-(4-chloro-2-methoxyphenoxy)azetidine
CID 131025612
3-[2-(azetidin-3-yloxy)-4-chlorophenoxy]isoquinoline
CID 58405115

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-phenylmethoxyphenoxy)azetidine?
The IUPAC name of 3-(5-chloro-2-phenylmethoxyphenoxy)azetidine (CID 58405156) is 3-(5-chloro-2-phenylmethoxyphenoxy)azetidine.
What is the SMILES notation for 3-(5-chloro-2-phenylmethoxyphenoxy)azetidine?
The canonical SMILES for 3-(5-chloro-2-phenylmethoxyphenoxy)azetidine is Clc1ccc(OCc2ccccc2)c(OC2CNC2)c1.
What is the InChIKey of 3-(5-chloro-2-phenylmethoxyphenoxy)azetidine?
The InChIKey is GFOGKOGOIFYZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-13-6-7-15(16(8-13)20-14-9-18-10-14)19-11-12-4-2-1-3-5-12/h1-8,14,18H,9-11H2.
What are the key properties of 3-(5-chloro-2-phenylmethoxyphenoxy)azetidine?
3-(5-chloro-2-phenylmethoxyphenoxy)azetidine has a molecular weight of 289.76 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-phenylmethoxyphenoxy)azetidine is sourced from PubChem (CID 58405156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).