3-[(3,4-dichlorophenoxy)-(3,4-dichlorophenyl)methyl]azetidine

C16H13Cl4NO — CID 78094523

IUPAC3-[(3,4-dichlorophenoxy)-(3,4-dichlorophenyl)methyl]azetidine
SMILESClc1ccc(OC(c2ccc(Cl)c(Cl)c2)C2CNC2)cc1Cl
InChIInChI=1S/C16H13Cl4NO/c17-12-3-1-9(5-14(12)19)16(10-7-21-8-10)22-11-2-4-13(18)15(20)6-11/h1-6,10,16,21H,7-8H2
InChIKeyMVJFAEKRFQUMKZ-UHFFFAOYSA-N
MW377.10 g/mol
LogP5.64
Rot. Bonds4

About 3-[(3,4-dichlorophenoxy)-(3,4-dichlorophenyl)methyl]azetidine

3-[(3,4-dichlorophenoxy)-(3,4-dichlorophenyl)methyl]azetidine (PubChem CID 78094523) has the molecular formula C16H13Cl4NO and a molecular weight of 377.10 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenoxy)-(3,4-dichlorophenyl)methyl]azetidine.

Molecular Properties

Compound Name3-[(3,4-dichlorophenoxy)-(3,4-dichlorophenyl)methyl]azetidine
PubChem CID78094523
Molecular FormulaC16H13Cl4NO
Molecular Weight377.10 g/mol
Exact Mass374.98
IUPAC Name3-[(3,4-dichlorophenoxy)-(3,4-dichlorophenyl)methyl]azetidine
SMILESClc1ccc(OC(c2ccc(Cl)c(Cl)c2)C2CNC2)cc1Cl
InChIInChI=1S/C16H13Cl4NO/c17-12-3-1-9(5-14(12)19)16(10-7-21-8-10)22-11-2-4-13(18)15(20)6-11/h1-6,10,16,21H,7-8H2
InChIKeyMVJFAEKRFQUMKZ-UHFFFAOYSA-N
XLogP5.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.10
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(R)-(3,4-dichlorophenyl)-(3-methylphenoxy)methyl]azetidine
CID 71516269
3-[(R)-(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenoxy]methyl]azetidine
CID 71516398
3-[(3-chloro-4-fluorophenyl)-(4-chlorophenoxy)methyl]azetidine
CID 90217872
3-[(4-chloro-3-fluorophenyl)-(4-fluorophenoxy)methyl]azetidine
CID 78094255
3-[(S)-(4-chloro-3-fluorophenyl)-(4-fluorophenoxy)methyl]azetidine;hydrochloride
CID 71515544
3-[(3-chloro-4-fluorophenyl)-(4-methylphenoxy)methyl]azetidine;hydrochloride
CID 90217797
3-[cyclopentyloxy-(3,4-dichlorophenyl)methyl]azetidine;hydrochloride
CID 86722613
3-[2-(3,4-dichlorophenoxy)-2-(3,4-dichlorophenyl)ethyl]azetidine
CID 118706043
3-[(R)-(4-chloro-3-fluorophenyl)-(3-chlorophenoxy)methyl]azetidine;hydrochloride
CID 71515620
[(S)-azetidin-3-yl-(3,4-dichlorophenyl)methyl] benzoate
CID 71516067
3-[(R)-(3,4-dichlorophenyl)-phenylmethoxymethyl]azetidine
CID 71516267
(S)-azetidin-3-yl-(3,4-dichlorophenyl)methanol;hydrochloride
CID 71515954

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenoxy)-(3,4-dichlorophenyl)methyl]azetidine?
The IUPAC name of 3-[(3,4-dichlorophenoxy)-(3,4-dichlorophenyl)methyl]azetidine (CID 78094523) is 3-[(3,4-dichlorophenoxy)-(3,4-dichlorophenyl)methyl]azetidine.
What is the SMILES notation for 3-[(3,4-dichlorophenoxy)-(3,4-dichlorophenyl)methyl]azetidine?
The canonical SMILES for 3-[(3,4-dichlorophenoxy)-(3,4-dichlorophenyl)methyl]azetidine is Clc1ccc(OC(c2ccc(Cl)c(Cl)c2)C2CNC2)cc1Cl.
What is the InChIKey of 3-[(3,4-dichlorophenoxy)-(3,4-dichlorophenyl)methyl]azetidine?
The InChIKey is MVJFAEKRFQUMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl4NO/c17-12-3-1-9(5-14(12)19)16(10-7-21-8-10)22-11-2-4-13(18)15(20)6-11/h1-6,10,16,21H,7-8H2.
What are the key properties of 3-[(3,4-dichlorophenoxy)-(3,4-dichlorophenyl)methyl]azetidine?
3-[(3,4-dichlorophenoxy)-(3,4-dichlorophenyl)methyl]azetidine has a molecular weight of 377.10 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenoxy)-(3,4-dichlorophenyl)methyl]azetidine is sourced from PubChem (CID 78094523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).