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

C16H15BrClNO2 — CID 46215489

IUPAC3-[5-bromo-2-[(4-chlorophenyl)methoxy]phenoxy]azetidine
SMILESClc1ccc(COc2ccc(Br)cc2OC2CNC2)cc1
InChIInChI=1S/C16H15BrClNO2/c17-12-3-6-15(16(7-12)21-14-8-19-9-14)20-10-11-1-4-13(18)5-2-11/h1-7,14,19H,8-10H2
InChIKeyFRHHLMYHFBACTB-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.03
Rot. Bonds5

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

3-[5-bromo-2-[(4-chlorophenyl)methoxy]phenoxy]azetidine (PubChem CID 46215489) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 3-[5-bromo-2-[(4-chlorophenyl)methoxy]phenoxy]azetidine.

Molecular Properties

Compound Name3-[5-bromo-2-[(4-chlorophenyl)methoxy]phenoxy]azetidine
PubChem CID46215489
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name3-[5-bromo-2-[(4-chlorophenyl)methoxy]phenoxy]azetidine
SMILESClc1ccc(COc2ccc(Br)cc2OC2CNC2)cc1
InChIInChI=1S/C16H15BrClNO2/c17-12-3-6-15(16(7-12)21-14-8-19-9-14)20-10-11-1-4-13(18)5-2-11/h1-7,14,19H,8-10H2
InChIKeyFRHHLMYHFBACTB-UHFFFAOYSA-N
XLogP4.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-phenylmethoxyphenoxy)azetidine
CID 58405156
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-[2-[(3-chlorophenyl)methoxy]-5-fluorophenoxy]azetidine
CID 46214825
3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine
CID 58405050
3-[5-chloro-2-[(3-methylsulfonylphenyl)methoxy]phenoxy]azetidine
CID 58405228
3-(4-bromo-2-methylphenoxy)azetidine
CID 24902314
3-[5-chloro-2-(4-chlorophenoxy)phenoxy]azetidine
CID 46215141
3-(azetidin-3-yloxy)-5-chloro-2-phenylmethoxypyridine
CID 58405049
4-bromo-2-chloro-1-[(4-iodophenyl)methoxy]benzene
CID 65490138
2-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-4-(trifluoromethyl)pyridine
CID 58405172
3-[(4-bromophenyl)methoxy]azetidine
CID 53409423

Frequently Asked Questions

What is the IUPAC name of 3-[5-bromo-2-[(4-chlorophenyl)methoxy]phenoxy]azetidine?
The IUPAC name of 3-[5-bromo-2-[(4-chlorophenyl)methoxy]phenoxy]azetidine (CID 46215489) is 3-[5-bromo-2-[(4-chlorophenyl)methoxy]phenoxy]azetidine.
What is the SMILES notation for 3-[5-bromo-2-[(4-chlorophenyl)methoxy]phenoxy]azetidine?
The canonical SMILES for 3-[5-bromo-2-[(4-chlorophenyl)methoxy]phenoxy]azetidine is Clc1ccc(COc2ccc(Br)cc2OC2CNC2)cc1.
What is the InChIKey of 3-[5-bromo-2-[(4-chlorophenyl)methoxy]phenoxy]azetidine?
The InChIKey is FRHHLMYHFBACTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c17-12-3-6-15(16(7-12)21-14-8-19-9-14)20-10-11-1-4-13(18)5-2-11/h1-7,14,19H,8-10H2.
What are the key properties of 3-[5-bromo-2-[(4-chlorophenyl)methoxy]phenoxy]azetidine?
3-[5-bromo-2-[(4-chlorophenyl)methoxy]phenoxy]azetidine has a molecular weight of 368.66 g/mol, XLogP of 4.03, 5 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-chlorophenyl)methoxy]phenoxy]azetidine is sourced from PubChem (CID 46215489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).