3-[2-methoxy-5-(2-methoxyphenyl)phenoxy]azetidine

C17H19NO3 — CID 46204081

IUPAC3-[2-methoxy-5-(2-methoxyphenyl)phenoxy]azetidine
SMILESCOc1ccc(-c2ccccc2OC)cc1OC1CNC1
InChIInChI=1S/C17H19NO3/c1-19-15-6-4-3-5-14(15)12-7-8-16(20-2)17(9-12)21-13-10-18-11-13/h3-9,13,18H,10-11H2,1-2H3
InChIKeyLOWWCEBZQVXEGV-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.72
Rot. Bonds5

About 3-[2-methoxy-5-(2-methoxyphenyl)phenoxy]azetidine

3-[2-methoxy-5-(2-methoxyphenyl)phenoxy]azetidine (PubChem CID 46204081) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-[2-methoxy-5-(2-methoxyphenyl)phenoxy]azetidine.

Molecular Properties

Compound Name3-[2-methoxy-5-(2-methoxyphenyl)phenoxy]azetidine
PubChem CID46204081
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-[2-methoxy-5-(2-methoxyphenyl)phenoxy]azetidine
SMILESCOc1ccc(-c2ccccc2OC)cc1OC1CNC1
InChIInChI=1S/C17H19NO3/c1-19-15-6-4-3-5-14(15)12-7-8-16(20-2)17(9-12)21-13-10-18-11-13/h3-9,13,18H,10-11H2,1-2H3
InChIKeyLOWWCEBZQVXEGV-UHFFFAOYSA-N
XLogP2.72
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-5-(2-methoxyphenyl)phenoxy]azetidine?
The IUPAC name of 3-[2-methoxy-5-(2-methoxyphenyl)phenoxy]azetidine (CID 46204081) is 3-[2-methoxy-5-(2-methoxyphenyl)phenoxy]azetidine.
What is the SMILES notation for 3-[2-methoxy-5-(2-methoxyphenyl)phenoxy]azetidine?
The canonical SMILES for 3-[2-methoxy-5-(2-methoxyphenyl)phenoxy]azetidine is COc1ccc(-c2ccccc2OC)cc1OC1CNC1.
What is the InChIKey of 3-[2-methoxy-5-(2-methoxyphenyl)phenoxy]azetidine?
The InChIKey is LOWWCEBZQVXEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-19-15-6-4-3-5-14(15)12-7-8-16(20-2)17(9-12)21-13-10-18-11-13/h3-9,13,18H,10-11H2,1-2H3.
What are the key properties of 3-[2-methoxy-5-(2-methoxyphenyl)phenoxy]azetidine?
3-[2-methoxy-5-(2-methoxyphenyl)phenoxy]azetidine has a molecular weight of 285.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-5-(2-methoxyphenyl)phenoxy]azetidine is sourced from PubChem (CID 46204081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).