3-[(2,4-dichlorophenyl)-phenylmethoxy]azetidine

C16H15Cl2NO — CID 131865153

IUPAC3-[(2,4-dichlorophenyl)-phenylmethoxy]azetidine
SMILESClc1ccc(C(OC2CNC2)c2ccccc2)c(Cl)c1
InChIInChI=1S/C16H15Cl2NO/c17-12-6-7-14(15(18)8-12)16(20-13-9-19-10-13)11-4-2-1-3-5-11/h1-8,13,16,19H,9-10H2
InChIKeyWAMHCCUNEMTSDW-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.07
Rot. Bonds4

About 3-[(2,4-dichlorophenyl)-phenylmethoxy]azetidine

3-[(2,4-dichlorophenyl)-phenylmethoxy]azetidine (PubChem CID 131865153) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)-phenylmethoxy]azetidine.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)-phenylmethoxy]azetidine
PubChem CID131865153
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name3-[(2,4-dichlorophenyl)-phenylmethoxy]azetidine
SMILESClc1ccc(C(OC2CNC2)c2ccccc2)c(Cl)c1
InChIInChI=1S/C16H15Cl2NO/c17-12-6-7-14(15(18)8-12)16(20-13-9-19-10-13)11-4-2-1-3-5-11/h1-8,13,16,19H,9-10H2
InChIKeyWAMHCCUNEMTSDW-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)-phenylmethoxy]azetidine?
The IUPAC name of 3-[(2,4-dichlorophenyl)-phenylmethoxy]azetidine (CID 131865153) is 3-[(2,4-dichlorophenyl)-phenylmethoxy]azetidine.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)-phenylmethoxy]azetidine?
The canonical SMILES for 3-[(2,4-dichlorophenyl)-phenylmethoxy]azetidine is Clc1ccc(C(OC2CNC2)c2ccccc2)c(Cl)c1.
What is the InChIKey of 3-[(2,4-dichlorophenyl)-phenylmethoxy]azetidine?
The InChIKey is WAMHCCUNEMTSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c17-12-6-7-14(15(18)8-12)16(20-13-9-19-10-13)11-4-2-1-3-5-11/h1-8,13,16,19H,9-10H2.
What are the key properties of 3-[(2,4-dichlorophenyl)-phenylmethoxy]azetidine?
3-[(2,4-dichlorophenyl)-phenylmethoxy]azetidine has a molecular weight of 308.21 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)-phenylmethoxy]azetidine is sourced from PubChem (CID 131865153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).