Structure & Deep Data of 3-[(3-METHOXYBENZYL)OXY]AZETIDINE (C11H15NO2)
Identification of 3-[(3-METHOXYBENZYL)OXY]AZETIDINE Chemical Compound
![2D chemical structure image of 3-[(3-METHOXYBENZYL)OXY]AZETIDINE](http://static.molinstincts.com/compound_common/3-3-METHOXYBENZYL-OXY-AZETIDINE-2D-structure-CT1072159174.png)
| Chemical Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.2423 g/mol |
| IUPAC Name | 3-[(3-methoxyphenyl)methoxy]azetidine |
| SMILES String | COc2cccc(COC1CNC1)c2 |
| InChI | InChI=1S/C11H15NO2/c1-13-10-4-2-3-9(5-10)8-14-11-6-12-7-11/h2-5,11-12H,6-8H2,1H3 |
| InChIKey | IVCZMEAGZZPMRS-UHFFFAOYSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 3-[(3-METHOXYBENZYL)OXY]AZETIDINE molecule contains a total of 30 bond(s). There are 15 non-H bond(s), 6 multiple bond(s), 4 rotatable bond(s), 6 aromatic bond(s), 1 four-membered ring(s), 1 six-membered ring(s), 1 secondary amine(s) (aliphatic), 1 ether(s) (aliphatic), 1 ether(s) (aromatic), and 1 Azetidine(s). Images of the chemical structure of 3-[(3-METHOXYBENZYL)OXY]AZETIDINE are given below:
![3D chemical structure image of 3-[(3-METHOXYBENZYL)OXY]AZETIDINE](http://static.molinstincts.com/compound_3d/3-3-METHOXYBENZYL-OXY-AZETIDINE-3D-structure-CT1072159174.png)
The 2D chemical structure image of 3-[(3-METHOXYBENZYL)OXY]AZETIDINE is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 3-[(3-METHOXYBENZYL)OXY]AZETIDINE are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of 3-[(3-METHOXYBENZYL)OXY]AZETIDINE is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of 3-[(3-METHOXYBENZYL)OXY]AZETIDINE. Download structure data file (SDF/MOL) file of this compound.
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of 3-[(3-METHOXYBENZYL)OXY]AZETIDINE is provided here.
The 3-[(3-METHOXYBENZYL)OXY]AZETIDINE molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the 3-[(3-METHOXYBENZYL)OXY]AZETIDINE molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of 3-[(3-METHOXYBENZYL)OXY]AZETIDINE can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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Additional Information for Identifying 3-[(3-METHOXYBENZYL)OXY]AZETIDINE Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of 3-[(3-METHOXYBENZYL)OXY]AZETIDINE
The SMILES string of 3-[(3-METHOXYBENZYL)OXY]AZETIDINE is COc2cccc(COC1CNC1)c2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 3-[(3-METHOXYBENZYL)OXY]AZETIDINE.
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Structure Data File (SDF/MOL File) of 3-[(3-METHOXYBENZYL)OXY]AZETIDINE
The structure data file (SDF/MOL File) of 3-[(3-METHOXYBENZYL)OXY]AZETIDINE is available for download in the SDF page of 3-[(3-METHOXYBENZYL)OXY]AZETIDINE, which provides the information about the atoms, bonds, connectivity and coordinates of 3-[(3-METHOXYBENZYL)OXY]AZETIDINE. The 3-[(3-METHOXYBENZYL)OXY]AZETIDINE structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of 3-[(3-METHOXYBENZYL)OXY]AZETIDINE
The molecular formula of 3-[(3-METHOXYBENZYL)OXY]AZETIDINE is available in chemical formula page of 3-[(3-METHOXYBENZYL)OXY]AZETIDINE, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of 3-[(3-METHOXYBENZYL)OXY]AZETIDINE
The molecular weight of 3-[(3-METHOXYBENZYL)OXY]AZETIDINE is available in molecular weight page of 3-[(3-METHOXYBENZYL)OXY]AZETIDINE, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of 3-[(3-METHOXYBENZYL)OXY]AZETIDINE
The 3-[(3-METHOXYBENZYL)OXY]AZETIDINE compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 3-[(3-METHOXYBENZYL)OXY]AZETIDINE including the various registry numbers, if available:
- 1220021-66-8
- 3-((3-Methoxybenzyl)oxy)azetidine
- 3-[(3-METHOXYBENZYL)OXY]AZETIDINE
3-[(3-METHOXYBENZYL)OXY]AZETIDINE Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of 3-[(3-METHOXYBENZYL)OXY]AZETIDINE? |
|---|
| C11H15NO2 |
| How many atoms and what are the elements included the 3-[(3-METHOXYBENZYL)OXY]AZETIDINE molecule? |
| 29 atom(s) - 15 Hydrogen atom(s), 11 Carbon atom(s), 1 Nitrogen atom(s), and 2 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are included the 3-[(3-METHOXYBENZYL)OXY]AZETIDINE structure? |
| 30 bond(s) - 15 non-H bond(s), 6 multiple bond(s), 4 rotatable bond(s), 6 aromatic bond(s), 1 four-membered ring(s), 1 six-membered ring(s), 1 secondary amine(s) (aliphatic), 1 ether(s) (aliphatic), 1 ether(s) (aromatic), and 1 Azetidine(s) |
| What’s the 3-[(3-METHOXYBENZYL)OXY]AZETIDINE’s molecular weight? |
| 193.2423 g/mol |
| What’s the SMILES code of 3-[(3-METHOXYBENZYL)OXY]AZETIDINE? |
| COc2cccc(COC1CNC1)c2 |
| What’s the InChI string of 3-[(3-METHOXYBENZYL)OXY]AZETIDINE? |
| InChI=1S/C11H15NO2/c1-13-10-4-2-3-9(5-10)8-14-11-6-12-7-11/h2-5,11-12H,6-8H2,1H3 |
| What’s the InChIKey code of 3-[(3-METHOXYBENZYL)OXY]AZETIDINE? |
| IVCZMEAGZZPMRS-UHFFFAOYSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).