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

C17H17Cl2NO2 — CID 90792059

IUPAC3-[5-chloro-2-[2-(2-chlorophenyl)ethoxy]phenoxy]azetidine
SMILESClc1ccc(OCCc2ccccc2Cl)c(OC2CNC2)c1
InChIInChI=1S/C17H17Cl2NO2/c18-13-5-6-16(17(9-13)22-14-10-20-11-14)21-8-7-12-3-1-2-4-15(12)19/h1-6,9,14,20H,7-8,10-11H2
InChIKeyDNPTYRZQSGDPPL-UHFFFAOYSA-N
MW338.23 g/mol
LogP3.97
Rot. Bonds6

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

3-[5-chloro-2-[2-(2-chlorophenyl)ethoxy]phenoxy]azetidine (PubChem CID 90792059) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 3-[5-chloro-2-[2-(2-chlorophenyl)ethoxy]phenoxy]azetidine.

Molecular Properties

Compound Name3-[5-chloro-2-[2-(2-chlorophenyl)ethoxy]phenoxy]azetidine
PubChem CID90792059
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name3-[5-chloro-2-[2-(2-chlorophenyl)ethoxy]phenoxy]azetidine
SMILESClc1ccc(OCCc2ccccc2Cl)c(OC2CNC2)c1
InChIInChI=1S/C17H17Cl2NO2/c18-13-5-6-16(17(9-13)22-14-10-20-11-14)21-8-7-12-3-1-2-4-15(12)19/h1-6,9,14,20H,7-8,10-11H2
InChIKeyDNPTYRZQSGDPPL-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-(4-chlorophenyl)ethoxy]phenoxy]azetidine
CID 58405106
3-(5-chloro-2-phenylmethoxyphenoxy)azetidine
CID 58405156
3-[5-chloro-2-(4-chlorophenoxy)phenoxy]azetidine
CID 46215141
3-(4-chloro-2-methoxyphenoxy)azetidine
CID 131025612
3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine
CID 58405050
3-[2-(azetidin-3-yloxy)-4-chlorophenoxy]isoquinoline
CID 58405115
3-(2-chlorophenoxy)azetidine;hydrochloride
CID 66591566
3-[2-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-5-chlorophenoxy]azetidine
CID 58405063
3-[5-chloro-2-[(3-methylsulfonylphenyl)methoxy]phenoxy]azetidine
CID 58405228
3-[5-chloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine
CID 58405153
3-[2-[(3-chlorophenyl)methoxy]-5-fluorophenoxy]azetidine
CID 46214825
3-(azetidin-3-yloxy)-5-chloro-2-phenylmethoxypyridine
CID 58405049

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-[2-(2-chlorophenyl)ethoxy]phenoxy]azetidine?
The IUPAC name of 3-[5-chloro-2-[2-(2-chlorophenyl)ethoxy]phenoxy]azetidine (CID 90792059) is 3-[5-chloro-2-[2-(2-chlorophenyl)ethoxy]phenoxy]azetidine.
What is the SMILES notation for 3-[5-chloro-2-[2-(2-chlorophenyl)ethoxy]phenoxy]azetidine?
The canonical SMILES for 3-[5-chloro-2-[2-(2-chlorophenyl)ethoxy]phenoxy]azetidine is Clc1ccc(OCCc2ccccc2Cl)c(OC2CNC2)c1.
What is the InChIKey of 3-[5-chloro-2-[2-(2-chlorophenyl)ethoxy]phenoxy]azetidine?
The InChIKey is DNPTYRZQSGDPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c18-13-5-6-16(17(9-13)22-14-10-20-11-14)21-8-7-12-3-1-2-4-15(12)19/h1-6,9,14,20H,7-8,10-11H2.
What are the key properties of 3-[5-chloro-2-[2-(2-chlorophenyl)ethoxy]phenoxy]azetidine?
3-[5-chloro-2-[2-(2-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-(2-chlorophenyl)ethoxy]phenoxy]azetidine is sourced from PubChem (CID 90792059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).