3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine;hydrochloride

C16H16Cl3NO — CID 68902343

IUPAC3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine;hydrochloride
SMILESCl.Clc1ccc(C(OC2CNC2)c2ccccc2Cl)cc1
InChIInChI=1S/C16H15Cl2NO.ClH/c17-12-7-5-11(6-8-12)16(20-13-9-19-10-13)14-3-1-2-4-15(14)18;/h1-8,13,16,19H,9-10H2;1H
InChIKeyAIATVWCFSQVGGM-UHFFFAOYSA-N
MW344.67 g/mol
LogP4.49
Rot. Bonds4

About 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine;hydrochloride

3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine;hydrochloride (PubChem CID 68902343) has the molecular formula C16H16Cl3NO and a molecular weight of 344.67 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine;hydrochloride.

Molecular Properties

Compound Name3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine;hydrochloride
PubChem CID68902343
Molecular FormulaC16H16Cl3NO
Molecular Weight344.67 g/mol
Exact Mass343.03
IUPAC Name3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine;hydrochloride
SMILESCl.Clc1ccc(C(OC2CNC2)c2ccccc2Cl)cc1
InChIInChI=1S/C16H15Cl2NO.ClH/c17-12-7-5-11(6-8-12)16(20-13-9-19-10-13)14-3-1-2-4-15(14)18;/h1-8,13,16,19H,9-10H2;1H
InChIKeyAIATVWCFSQVGGM-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.67
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine;hydrochloride?
The IUPAC name of 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine;hydrochloride (CID 68902343) is 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine;hydrochloride.
What is the SMILES notation for 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine;hydrochloride?
The canonical SMILES for 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine;hydrochloride is Cl.Clc1ccc(C(OC2CNC2)c2ccccc2Cl)cc1.
What is the InChIKey of 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine;hydrochloride?
The InChIKey is AIATVWCFSQVGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO.ClH/c17-12-7-5-11(6-8-12)16(20-13-9-19-10-13)14-3-1-2-4-15(14)18;/h1-8,13,16,19H,9-10H2;1H.
What are the key properties of 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine;hydrochloride?
3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine;hydrochloride has a molecular weight of 344.67 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine;hydrochloride is sourced from PubChem (CID 68902343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).