3-[5-chloro-2-[2-(4-chlorophenyl)ethoxy]phenoxy]azetidine

C17H17Cl2NO2 — CID 58405106

IUPAC3-[5-chloro-2-[2-(4-chlorophenyl)ethoxy]phenoxy]azetidine
SMILESClc1ccc(CCOc2ccc(Cl)cc2OC2CNC2)cc1
InChIInChI=1S/C17H17Cl2NO2/c18-13-3-1-12(2-4-13)7-8-21-16-6-5-14(19)9-17(16)22-15-10-20-11-15/h1-6,9,15,20H,7-8,10-11H2
InChIKeyUIEIWPLVGNJKGP-UHFFFAOYSA-N
MW338.23 g/mol
LogP3.97
Rot. Bonds6

About 3-[5-chloro-2-[2-(4-chlorophenyl)ethoxy]phenoxy]azetidine

3-[5-chloro-2-[2-(4-chlorophenyl)ethoxy]phenoxy]azetidine (PubChem CID 58405106) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 3-[5-chloro-2-[2-(4-chlorophenyl)ethoxy]phenoxy]azetidine.

Molecular Properties

Compound Name3-[5-chloro-2-[2-(4-chlorophenyl)ethoxy]phenoxy]azetidine
PubChem CID58405106
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name3-[5-chloro-2-[2-(4-chlorophenyl)ethoxy]phenoxy]azetidine
SMILESClc1ccc(CCOc2ccc(Cl)cc2OC2CNC2)cc1
InChIInChI=1S/C17H17Cl2NO2/c18-13-3-1-12(2-4-13)7-8-21-16-6-5-14(19)9-17(16)22-15-10-20-11-15/h1-6,9,15,20H,7-8,10-11H2
InChIKeyUIEIWPLVGNJKGP-UHFFFAOYSA-N
XLogP3.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-chloro-2-[2-(2-chlorophenyl)ethoxy]phenoxy]azetidine
CID 90792059
3-(5-chloro-2-phenylmethoxyphenoxy)azetidine
CID 58405156
3-[5-bromo-2-[(4-chlorophenyl)methoxy]phenoxy]azetidine
CID 46215489
3-[5-chloro-2-(4-chlorophenoxy)phenoxy]azetidine
CID 46215141
3-[5-chloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine
CID 58405153
3-(4-chloro-2-methoxyphenoxy)azetidine
CID 131025612
3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine
CID 58405050
3-[5-chloro-2-[(3-methylsulfonylphenyl)methoxy]phenoxy]azetidine
CID 58405228
3-[2-[(3-chlorophenyl)methoxy]-5-fluorophenoxy]azetidine
CID 46214825
2-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-4-(trifluoromethyl)pyridine
CID 58405172
3-[2-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-5-chlorophenoxy]azetidine
CID 58405063
5-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-2-(trifluoromethyl)furan-3-carboxylic acid
CID 46214331

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-[2-(4-chlorophenyl)ethoxy]phenoxy]azetidine?
The IUPAC name of 3-[5-chloro-2-[2-(4-chlorophenyl)ethoxy]phenoxy]azetidine (CID 58405106) is 3-[5-chloro-2-[2-(4-chlorophenyl)ethoxy]phenoxy]azetidine.
What is the SMILES notation for 3-[5-chloro-2-[2-(4-chlorophenyl)ethoxy]phenoxy]azetidine?
The canonical SMILES for 3-[5-chloro-2-[2-(4-chlorophenyl)ethoxy]phenoxy]azetidine is Clc1ccc(CCOc2ccc(Cl)cc2OC2CNC2)cc1.
What is the InChIKey of 3-[5-chloro-2-[2-(4-chlorophenyl)ethoxy]phenoxy]azetidine?
The InChIKey is UIEIWPLVGNJKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c18-13-3-1-12(2-4-13)7-8-21-16-6-5-14(19)9-17(16)22-15-10-20-11-15/h1-6,9,15,20H,7-8,10-11H2.
What are the key properties of 3-[5-chloro-2-[2-(4-chlorophenyl)ethoxy]phenoxy]azetidine?
3-[5-chloro-2-[2-(4-chlorophenyl)ethoxy]phenoxy]azetidine has a molecular weight of 338.23 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-[2-(4-chlorophenyl)ethoxy]phenoxy]azetidine is sourced from PubChem (CID 58405106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).