3-[bis(2-chlorophenyl)methoxy]azetidine

C16H15Cl2NO — CID 68907853

IUPAC3-[bis(2-chlorophenyl)methoxy]azetidine
SMILESClc1ccccc1C(OC1CNC1)c1ccccc1Cl
InChIInChI=1S/C16H15Cl2NO/c17-14-7-3-1-5-12(14)16(20-11-9-19-10-11)13-6-2-4-8-15(13)18/h1-8,11,16,19H,9-10H2
InChIKeyWNNXRNDFWVNCSZ-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.07
Rot. Bonds4

About 3-[bis(2-chlorophenyl)methoxy]azetidine

3-[bis(2-chlorophenyl)methoxy]azetidine (PubChem CID 68907853) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 3-[bis(2-chlorophenyl)methoxy]azetidine.

Molecular Properties

Compound Name3-[bis(2-chlorophenyl)methoxy]azetidine
PubChem CID68907853
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name3-[bis(2-chlorophenyl)methoxy]azetidine
SMILESClc1ccccc1C(OC1CNC1)c1ccccc1Cl
InChIInChI=1S/C16H15Cl2NO/c17-14-7-3-1-5-12(14)16(20-11-9-19-10-11)13-6-2-4-8-15(13)18/h1-8,11,16,19H,9-10H2
InChIKeyWNNXRNDFWVNCSZ-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-chlorophenyl)methoxy]azetidine?
The IUPAC name of 3-[bis(2-chlorophenyl)methoxy]azetidine (CID 68907853) is 3-[bis(2-chlorophenyl)methoxy]azetidine.
What is the SMILES notation for 3-[bis(2-chlorophenyl)methoxy]azetidine?
The canonical SMILES for 3-[bis(2-chlorophenyl)methoxy]azetidine is Clc1ccccc1C(OC1CNC1)c1ccccc1Cl.
What is the InChIKey of 3-[bis(2-chlorophenyl)methoxy]azetidine?
The InChIKey is WNNXRNDFWVNCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c17-14-7-3-1-5-12(14)16(20-11-9-19-10-11)13-6-2-4-8-15(13)18/h1-8,11,16,19H,9-10H2.
What are the key properties of 3-[bis(2-chlorophenyl)methoxy]azetidine?
3-[bis(2-chlorophenyl)methoxy]azetidine has a molecular weight of 308.21 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-chlorophenyl)methoxy]azetidine is sourced from PubChem (CID 68907853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).