3-(2-bromo-4-methoxyphenoxy)azetidine

C10H12BrNO2 — CID 53409199

IUPAC3-(2-bromo-4-methoxyphenoxy)azetidine
SMILESCOc1ccc(OC2CNC2)c(Br)c1
InChIInChI=1S/C10H12BrNO2/c1-13-7-2-3-10(9(11)4-7)14-8-5-12-6-8/h2-4,8,12H,5-6H2,1H3
InChIKeyHLWKYOXBHUQIAN-UHFFFAOYSA-N
MW258.11 g/mol
LogP1.81
Rot. Bonds3

About 3-(2-bromo-4-methoxyphenoxy)azetidine

3-(2-bromo-4-methoxyphenoxy)azetidine (PubChem CID 53409199) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 3-(2-bromo-4-methoxyphenoxy)azetidine.

Molecular Properties

Compound Name3-(2-bromo-4-methoxyphenoxy)azetidine
PubChem CID53409199
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name3-(2-bromo-4-methoxyphenoxy)azetidine
SMILESCOc1ccc(OC2CNC2)c(Br)c1
InChIInChI=1S/C10H12BrNO2/c1-13-7-2-3-10(9(11)4-7)14-8-5-12-6-8/h2-4,8,12H,5-6H2,1H3
InChIKeyHLWKYOXBHUQIAN-UHFFFAOYSA-N
XLogP1.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-methoxyphenoxy)azetidine?
The IUPAC name of 3-(2-bromo-4-methoxyphenoxy)azetidine (CID 53409199) is 3-(2-bromo-4-methoxyphenoxy)azetidine.
What is the SMILES notation for 3-(2-bromo-4-methoxyphenoxy)azetidine?
The canonical SMILES for 3-(2-bromo-4-methoxyphenoxy)azetidine is COc1ccc(OC2CNC2)c(Br)c1.
What is the InChIKey of 3-(2-bromo-4-methoxyphenoxy)azetidine?
The InChIKey is HLWKYOXBHUQIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-13-7-2-3-10(9(11)4-7)14-8-5-12-6-8/h2-4,8,12H,5-6H2,1H3.
What are the key properties of 3-(2-bromo-4-methoxyphenoxy)azetidine?
3-(2-bromo-4-methoxyphenoxy)azetidine has a molecular weight of 258.11 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-methoxyphenoxy)azetidine is sourced from PubChem (CID 53409199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).