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

C16H16Cl3NO — CID 71727866

IUPAC3-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]azetidine;hydrochloride
SMILESCl.Clc1ccc(COC2(c3ccc(Cl)cc3)CNC2)cc1
InChIInChI=1S/C16H15Cl2NO.ClH/c17-14-5-1-12(2-6-14)9-20-16(10-19-11-16)13-3-7-15(18)8-4-13;/h1-8,19H,9-11H2;1H
InChIKeyLAJBINXURZHHIF-UHFFFAOYSA-N
MW344.67 g/mol
LogP4.43
Rot. Bonds4

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

3-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]azetidine;hydrochloride (PubChem CID 71727866) has the molecular formula C16H16Cl3NO and a molecular weight of 344.67 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]azetidine;hydrochloride.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]azetidine;hydrochloride
PubChem CID71727866
Molecular FormulaC16H16Cl3NO
Molecular Weight344.67 g/mol
Exact Mass343.03
IUPAC Name3-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]azetidine;hydrochloride
SMILESCl.Clc1ccc(COC2(c3ccc(Cl)cc3)CNC2)cc1
InChIInChI=1S/C16H15Cl2NO.ClH/c17-14-5-1-12(2-6-14)9-20-16(10-19-11-16)13-3-7-15(18)8-4-13;/h1-8,19H,9-11H2;1H
InChIKeyLAJBINXURZHHIF-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]azetidine;hydrochloride?
The IUPAC name of 3-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]azetidine;hydrochloride (CID 71727866) is 3-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]azetidine;hydrochloride.
What is the SMILES notation for 3-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]azetidine;hydrochloride?
The canonical SMILES for 3-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]azetidine;hydrochloride is Cl.Clc1ccc(COC2(c3ccc(Cl)cc3)CNC2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]azetidine;hydrochloride?
The InChIKey is LAJBINXURZHHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO.ClH/c17-14-5-1-12(2-6-14)9-20-16(10-19-11-16)13-3-7-15(18)8-4-13;/h1-8,19H,9-11H2;1H.
What are the key properties of 3-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]azetidine;hydrochloride?
3-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]azetidine;hydrochloride has a molecular weight of 344.67 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]azetidine;hydrochloride is sourced from PubChem (CID 71727866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).