3-[5-bromo-2-(4-chlorophenoxy)phenoxy]azetidine

C15H13BrClNO2 — CID 58405167

IUPAC3-[5-bromo-2-(4-chlorophenoxy)phenoxy]azetidine
SMILESClc1ccc(Oc2ccc(Br)cc2OC2CNC2)cc1
InChIInChI=1S/C15H13BrClNO2/c16-10-1-6-14(15(7-10)20-13-8-18-9-13)19-12-4-2-11(17)3-5-12/h1-7,13,18H,8-9H2
InChIKeyMDWUHWBJVCCOLL-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.25
Rot. Bonds4

About 3-[5-bromo-2-(4-chlorophenoxy)phenoxy]azetidine

3-[5-bromo-2-(4-chlorophenoxy)phenoxy]azetidine (PubChem CID 58405167) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is 3-[5-bromo-2-(4-chlorophenoxy)phenoxy]azetidine.

Molecular Properties

Compound Name3-[5-bromo-2-(4-chlorophenoxy)phenoxy]azetidine
PubChem CID58405167
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Name3-[5-bromo-2-(4-chlorophenoxy)phenoxy]azetidine
SMILESClc1ccc(Oc2ccc(Br)cc2OC2CNC2)cc1
InChIInChI=1S/C15H13BrClNO2/c16-10-1-6-14(15(7-10)20-13-8-18-9-13)19-12-4-2-11(17)3-5-12/h1-7,13,18H,8-9H2
InChIKeyMDWUHWBJVCCOLL-UHFFFAOYSA-N
XLogP4.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-bromo-2-(4-chlorophenoxy)phenoxy]azetidine?
The IUPAC name of 3-[5-bromo-2-(4-chlorophenoxy)phenoxy]azetidine (CID 58405167) is 3-[5-bromo-2-(4-chlorophenoxy)phenoxy]azetidine.
What is the SMILES notation for 3-[5-bromo-2-(4-chlorophenoxy)phenoxy]azetidine?
The canonical SMILES for 3-[5-bromo-2-(4-chlorophenoxy)phenoxy]azetidine is Clc1ccc(Oc2ccc(Br)cc2OC2CNC2)cc1.
What is the InChIKey of 3-[5-bromo-2-(4-chlorophenoxy)phenoxy]azetidine?
The InChIKey is MDWUHWBJVCCOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c16-10-1-6-14(15(7-10)20-13-8-18-9-13)19-12-4-2-11(17)3-5-12/h1-7,13,18H,8-9H2.
What are the key properties of 3-[5-bromo-2-(4-chlorophenoxy)phenoxy]azetidine?
3-[5-bromo-2-(4-chlorophenoxy)phenoxy]azetidine has a molecular weight of 354.63 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-bromo-2-(4-chlorophenoxy)phenoxy]azetidine is sourced from PubChem (CID 58405167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).