3-(2-chlorophenoxy)-3-methylazetidine

C10H12ClNO — CID 115021262

IUPAC3-(2-chlorophenoxy)-3-methylazetidine
SMILESCC1(Oc2ccccc2Cl)CNC1
InChIInChI=1S/C10H12ClNO/c1-10(6-12-7-10)13-9-5-3-2-4-8(9)11/h2-5,12H,6-7H2,1H3
InChIKeyARTBOQMHTXNUHS-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.08
Rot. Bonds2

About 3-(2-chlorophenoxy)-3-methylazetidine

3-(2-chlorophenoxy)-3-methylazetidine (PubChem CID 115021262) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-3-methylazetidine.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-3-methylazetidine
PubChem CID115021262
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name3-(2-chlorophenoxy)-3-methylazetidine
SMILESCC1(Oc2ccccc2Cl)CNC1
InChIInChI=1S/C10H12ClNO/c1-10(6-12-7-10)13-9-5-3-2-4-8(9)11/h2-5,12H,6-7H2,1H3
InChIKeyARTBOQMHTXNUHS-UHFFFAOYSA-N
XLogP2.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-3-methylazetidine?
The IUPAC name of 3-(2-chlorophenoxy)-3-methylazetidine (CID 115021262) is 3-(2-chlorophenoxy)-3-methylazetidine.
What is the SMILES notation for 3-(2-chlorophenoxy)-3-methylazetidine?
The canonical SMILES for 3-(2-chlorophenoxy)-3-methylazetidine is CC1(Oc2ccccc2Cl)CNC1.
What is the InChIKey of 3-(2-chlorophenoxy)-3-methylazetidine?
The InChIKey is ARTBOQMHTXNUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-10(6-12-7-10)13-9-5-3-2-4-8(9)11/h2-5,12H,6-7H2,1H3.
What are the key properties of 3-(2-chlorophenoxy)-3-methylazetidine?
3-(2-chlorophenoxy)-3-methylazetidine has a molecular weight of 197.67 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-3-methylazetidine is sourced from PubChem (CID 115021262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).