3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine

C16H15Cl2NO — CID 71727986

IUPAC3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine
SMILESClc1ccc(C2(OCc3ccccc3)CNC2)cc1Cl
InChIInChI=1S/C16H15Cl2NO/c17-14-7-6-13(8-15(14)18)16(10-19-11-16)20-9-12-4-2-1-3-5-12/h1-8,19H,9-11H2
InChIKeyVQYITZNMGPPDSO-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.01
Rot. Bonds4

About 3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine

3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine (PubChem CID 71727986) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine
PubChem CID71727986
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine
SMILESClc1ccc(C2(OCc3ccccc3)CNC2)cc1Cl
InChIInChI=1S/C16H15Cl2NO/c17-14-7-6-13(8-15(14)18)16(10-19-11-16)20-9-12-4-2-1-3-5-12/h1-8,19H,9-11H2
InChIKeyVQYITZNMGPPDSO-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
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)-3-phenylmethoxyazetidine?
The IUPAC name of 3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine (CID 71727986) is 3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine is Clc1ccc(C2(OCc3ccccc3)CNC2)cc1Cl.
What is the InChIKey of 3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine?
The InChIKey is VQYITZNMGPPDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c17-14-7-6-13(8-15(14)18)16(10-19-11-16)20-9-12-4-2-1-3-5-12/h1-8,19H,9-11H2.
What are the key properties of 3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine?
3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine has a molecular weight of 308.21 g/mol, XLogP of 4.01, 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)-3-phenylmethoxyazetidine is sourced from PubChem (CID 71727986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).