3-[(3,4-dichlorophenyl)-phenoxymethyl]azetidine

C16H15Cl2NO — CID 70676331

IUPAC3-[(3,4-dichlorophenyl)-phenoxymethyl]azetidine
SMILESClc1ccc(C(Oc2ccccc2)C2CNC2)cc1Cl
InChIInChI=1S/C16H15Cl2NO/c17-14-7-6-11(8-15(14)18)16(12-9-19-10-12)20-13-4-2-1-3-5-13/h1-8,12,16,19H,9-10H2
InChIKeyAUFQHHZWHFPPAA-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.33
Rot. Bonds4

About 3-[(3,4-dichlorophenyl)-phenoxymethyl]azetidine

3-[(3,4-dichlorophenyl)-phenoxymethyl]azetidine (PubChem CID 70676331) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)-phenoxymethyl]azetidine.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)-phenoxymethyl]azetidine
PubChem CID70676331
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name3-[(3,4-dichlorophenyl)-phenoxymethyl]azetidine
SMILESClc1ccc(C(Oc2ccccc2)C2CNC2)cc1Cl
InChIInChI=1S/C16H15Cl2NO/c17-14-7-6-11(8-15(14)18)16(12-9-19-10-12)20-13-4-2-1-3-5-13/h1-8,12,16,19H,9-10H2
InChIKeyAUFQHHZWHFPPAA-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)-phenoxymethyl]azetidine?
The IUPAC name of 3-[(3,4-dichlorophenyl)-phenoxymethyl]azetidine (CID 70676331) is 3-[(3,4-dichlorophenyl)-phenoxymethyl]azetidine.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)-phenoxymethyl]azetidine?
The canonical SMILES for 3-[(3,4-dichlorophenyl)-phenoxymethyl]azetidine is Clc1ccc(C(Oc2ccccc2)C2CNC2)cc1Cl.
What is the InChIKey of 3-[(3,4-dichlorophenyl)-phenoxymethyl]azetidine?
The InChIKey is AUFQHHZWHFPPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c17-14-7-6-11(8-15(14)18)16(12-9-19-10-12)20-13-4-2-1-3-5-13/h1-8,12,16,19H,9-10H2.
What are the key properties of 3-[(3,4-dichlorophenyl)-phenoxymethyl]azetidine?
3-[(3,4-dichlorophenyl)-phenoxymethyl]azetidine has a molecular weight of 308.21 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)-phenoxymethyl]azetidine is sourced from PubChem (CID 70676331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).