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

C17H18ClNO — CID 70676335

IUPAC3-[(4-chlorophenyl)-phenylmethoxymethyl]azetidine
SMILESClc1ccc(C(OCc2ccccc2)C2CNC2)cc1
InChIInChI=1S/C17H18ClNO/c18-16-8-6-14(7-9-16)17(15-10-19-11-15)20-12-13-4-2-1-3-5-13/h1-9,15,17,19H,10-12H2
InChIKeyRHIUMSWZYGXPFR-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.82
Rot. Bonds5

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

3-[(4-chlorophenyl)-phenylmethoxymethyl]azetidine (PubChem CID 70676335) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)-phenylmethoxymethyl]azetidine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)-phenylmethoxymethyl]azetidine
PubChem CID70676335
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name3-[(4-chlorophenyl)-phenylmethoxymethyl]azetidine
SMILESClc1ccc(C(OCc2ccccc2)C2CNC2)cc1
InChIInChI=1S/C17H18ClNO/c18-16-8-6-14(7-9-16)17(15-10-19-11-15)20-12-13-4-2-1-3-5-13/h1-9,15,17,19H,10-12H2
InChIKeyRHIUMSWZYGXPFR-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)-phenylmethoxymethyl]azetidine?
The IUPAC name of 3-[(4-chlorophenyl)-phenylmethoxymethyl]azetidine (CID 70676335) is 3-[(4-chlorophenyl)-phenylmethoxymethyl]azetidine.
What is the SMILES notation for 3-[(4-chlorophenyl)-phenylmethoxymethyl]azetidine?
The canonical SMILES for 3-[(4-chlorophenyl)-phenylmethoxymethyl]azetidine is Clc1ccc(C(OCc2ccccc2)C2CNC2)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)-phenylmethoxymethyl]azetidine?
The InChIKey is RHIUMSWZYGXPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c18-16-8-6-14(7-9-16)17(15-10-19-11-15)20-12-13-4-2-1-3-5-13/h1-9,15,17,19H,10-12H2.
What are the key properties of 3-[(4-chlorophenyl)-phenylmethoxymethyl]azetidine?
3-[(4-chlorophenyl)-phenylmethoxymethyl]azetidine has a molecular weight of 287.79 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)-phenylmethoxymethyl]azetidine is sourced from PubChem (CID 70676335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).