3-[(4-chlorophenyl)-phenylmethoxy]azetidine

C16H16ClNO — CID 131865154

IUPAC3-[(4-chlorophenyl)-phenylmethoxy]azetidine
SMILESClc1ccc(C(OC2CNC2)c2ccccc2)cc1
InChIInChI=1S/C16H16ClNO/c17-14-8-6-13(7-9-14)16(19-15-10-18-11-15)12-4-2-1-3-5-12/h1-9,15-16,18H,10-11H2
InChIKeyAWOIIQZJAJYEMG-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.42
Rot. Bonds4

About 3-[(4-chlorophenyl)-phenylmethoxy]azetidine

3-[(4-chlorophenyl)-phenylmethoxy]azetidine (PubChem CID 131865154) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)-phenylmethoxy]azetidine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)-phenylmethoxy]azetidine
PubChem CID131865154
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name3-[(4-chlorophenyl)-phenylmethoxy]azetidine
SMILESClc1ccc(C(OC2CNC2)c2ccccc2)cc1
InChIInChI=1S/C16H16ClNO/c17-14-8-6-13(7-9-14)16(19-15-10-18-11-15)12-4-2-1-3-5-12/h1-9,15-16,18H,10-11H2
InChIKeyAWOIIQZJAJYEMG-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzhydryloxyazetidine;hydrochloride
CID 131885172
4-[(R)-(4-chlorophenyl)-phenylmethoxy]piperidine
CID 93492477
3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine;hydrochloride
CID 68902343
3-[(2,4-dichlorophenyl)-phenylmethoxy]azetidine
CID 131865153
3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine
CID 68902464
3-benzhydryloxypiperidine
CID 2762417
3-[bis(2-chlorophenyl)methoxy]azetidine
CID 68907853
8-benzyl-3-[bis(4-chlorophenyl)methoxy]-8-azabicyclo[3.2.1]octane
CID 12068491
4-[(4-fluorophenyl)-phenylmethoxy]piperidine;hydrochloride
CID 19874359
4-[(4-methylphenyl)-phenylmethoxy]piperidine
CID 10265745
8-benzyl-3-[bis(4-chlorophenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 45265393
(3R)-1-butyl-3-[(R)-(4-chlorophenyl)-phenylmethoxy]pyrrolidine
CID 124526306

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)-phenylmethoxy]azetidine?
The IUPAC name of 3-[(4-chlorophenyl)-phenylmethoxy]azetidine (CID 131865154) is 3-[(4-chlorophenyl)-phenylmethoxy]azetidine.
What is the SMILES notation for 3-[(4-chlorophenyl)-phenylmethoxy]azetidine?
The canonical SMILES for 3-[(4-chlorophenyl)-phenylmethoxy]azetidine is Clc1ccc(C(OC2CNC2)c2ccccc2)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)-phenylmethoxy]azetidine?
The InChIKey is AWOIIQZJAJYEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c17-14-8-6-13(7-9-14)16(19-15-10-18-11-15)12-4-2-1-3-5-12/h1-9,15-16,18H,10-11H2.
What are the key properties of 3-[(4-chlorophenyl)-phenylmethoxy]azetidine?
3-[(4-chlorophenyl)-phenylmethoxy]azetidine has a molecular weight of 273.76 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)-phenylmethoxy]azetidine is sourced from PubChem (CID 131865154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).