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

C16H15Cl4NO — CID 71727868

IUPAC3-(4-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]azetidine;hydrochloride
SMILESCl.Clc1ccc(C2(OCc3ccc(Cl)c(Cl)c3)CNC2)cc1
InChIInChI=1S/C16H14Cl3NO.ClH/c17-13-4-2-12(3-5-13)16(9-20-10-16)21-8-11-1-6-14(18)15(19)7-11;/h1-7,20H,8-10H2;1H
InChIKeyMIPNMPCWUVLFRW-UHFFFAOYSA-N
MW379.11 g/mol
LogP5.08
Rot. Bonds4

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

3-(4-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]azetidine;hydrochloride (PubChem CID 71727868) has the molecular formula C16H15Cl4NO and a molecular weight of 379.11 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]azetidine;hydrochloride.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]azetidine;hydrochloride
PubChem CID71727868
Molecular FormulaC16H15Cl4NO
Molecular Weight379.11 g/mol
Exact Mass376.99
IUPAC Name3-(4-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]azetidine;hydrochloride
SMILESCl.Clc1ccc(C2(OCc3ccc(Cl)c(Cl)c3)CNC2)cc1
InChIInChI=1S/C16H14Cl3NO.ClH/c17-13-4-2-12(3-5-13)16(9-20-10-16)21-8-11-1-6-14(18)15(19)7-11;/h1-7,20H,8-10H2;1H
InChIKeyMIPNMPCWUVLFRW-UHFFFAOYSA-N
XLogP5.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.11
LogP ≤ 55.08
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-[(3,4-dichlorophenyl)methoxy]azetidine;hydrochloride?
The IUPAC name of 3-(4-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]azetidine;hydrochloride (CID 71727868) is 3-(4-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]azetidine;hydrochloride.
What is the SMILES notation for 3-(4-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]azetidine;hydrochloride?
The canonical SMILES for 3-(4-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]azetidine;hydrochloride is Cl.Clc1ccc(C2(OCc3ccc(Cl)c(Cl)c3)CNC2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]azetidine;hydrochloride?
The InChIKey is MIPNMPCWUVLFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO.ClH/c17-13-4-2-12(3-5-13)16(9-20-10-16)21-8-11-1-6-14(18)15(19)7-11;/h1-7,20H,8-10H2;1H.
What are the key properties of 3-(4-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]azetidine;hydrochloride?
3-(4-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]azetidine;hydrochloride has a molecular weight of 379.11 g/mol, XLogP of 5.08, 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-[(3,4-dichlorophenyl)methoxy]azetidine;hydrochloride is sourced from PubChem (CID 71727868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).