3-[(2-bromo-4-chlorophenoxy)methyl]azetidine

C10H11BrClNO — CID 24902414

IUPAC3-[(2-bromo-4-chlorophenoxy)methyl]azetidine
SMILESClc1ccc(OCC2CNC2)c(Br)c1
InChIInChI=1S/C10H11BrClNO/c11-9-3-8(12)1-2-10(9)14-6-7-4-13-5-7/h1-3,7,13H,4-6H2
InChIKeyWIOLHSZCOUGNCV-UHFFFAOYSA-N
MW276.56 g/mol
LogP2.70
Rot. Bonds3

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

3-[(2-bromo-4-chlorophenoxy)methyl]azetidine (PubChem CID 24902414) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is 3-[(2-bromo-4-chlorophenoxy)methyl]azetidine.

Molecular Properties

Compound Name3-[(2-bromo-4-chlorophenoxy)methyl]azetidine
PubChem CID24902414
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC Name3-[(2-bromo-4-chlorophenoxy)methyl]azetidine
SMILESClc1ccc(OCC2CNC2)c(Br)c1
InChIInChI=1S/C10H11BrClNO/c11-9-3-8(12)1-2-10(9)14-6-7-4-13-5-7/h1-3,7,13H,4-6H2
InChIKeyWIOLHSZCOUGNCV-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-chloro-2-methylphenoxy)methyl]azetidine
CID 126979014
3-[3-[5-[(2-bromo-4-chlorophenoxy)methyl]furan-2-yl]propyl]azetidine
CID 161032531
(3S)-3-[(2,4-dichlorophenoxy)methyl]pyrrolidine
CID 86320973
2-(azetidin-3-ylmethoxy)-5-chlorobenzamide
CID 71133700
3-[3-[4-(2-bromo-4-chlorophenoxy)phenyl]propyl]azetidine
CID 159463440
(3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine
CID 26190671
3-[(3-chlorophenoxy)methyl]azetidine;hydrochloride
CID 86262193
3-[(2,4-dibromophenoxy)methyl]piperidine;hydrochloride
CID 56831044
3-bromo-4-(pyrrolidin-3-ylmethoxy)benzonitrile
CID 82801177
3-[(3,4-dichlorophenoxy)methyl]azetidine
CID 71133730
3-[[2-bromo-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 115512109
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-(2-bromo-4-chlorophenoxy)propan-1-one;hydrochloride
CID 120658605

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-chlorophenoxy)methyl]azetidine?
The IUPAC name of 3-[(2-bromo-4-chlorophenoxy)methyl]azetidine (CID 24902414) is 3-[(2-bromo-4-chlorophenoxy)methyl]azetidine.
What is the SMILES notation for 3-[(2-bromo-4-chlorophenoxy)methyl]azetidine?
The canonical SMILES for 3-[(2-bromo-4-chlorophenoxy)methyl]azetidine is Clc1ccc(OCC2CNC2)c(Br)c1.
What is the InChIKey of 3-[(2-bromo-4-chlorophenoxy)methyl]azetidine?
The InChIKey is WIOLHSZCOUGNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO/c11-9-3-8(12)1-2-10(9)14-6-7-4-13-5-7/h1-3,7,13H,4-6H2.
What are the key properties of 3-[(2-bromo-4-chlorophenoxy)methyl]azetidine?
3-[(2-bromo-4-chlorophenoxy)methyl]azetidine has a molecular weight of 276.56 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-4-chlorophenoxy)methyl]azetidine is sourced from PubChem (CID 24902414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).