Structure & Deep Data of (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone (C15H13ClO2)
Identification of (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone Chemical Compound
| Chemical Formula | C15H13ClO2 |
|---|---|
| Molecular Weight | 260.71522 g/mol |
| IUPAC Name | (2R,3R)-3-chloro-2-hydroxy-1,3-diphenylpropan-1-one |
| SMILES String | OC(C(Cl)c1ccccc1)C(=O)c2ccccc2 |
| InChI | InChI=1S/C15H13ClO2/c16-13(11-7-3-1-4-8-11)15(18)14(17)12-9-5-2-6-10-12/h1-10,13,15,18H/t13-,15+/m1/s1 |
| InChIKey | IMIXHMZSTVIWAK-HIFRSBDPSA-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 (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone molecule contains a total of 32 bond(s). There are 19 non-H bond(s), 13 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 ketone(s) (aromatic), 1 hydroxyl group(s), and 1 secondary alcohol(s). Images of the chemical structure of (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone are given below:
The 2D chemical structure image of (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone 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 (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone 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 (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone is provided here.
The (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone 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 (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone 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 (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone 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 (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone
The SMILES string of (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone is OC(C(Cl)c1ccccc1)C(=O)c2ccccc2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone.
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Structure Data File (SDF/MOL File) of (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone
The structure data file (SDF/MOL File) of (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone is available for download in the SDF page of (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone, which provides the information about the atoms, bonds, connectivity and coordinates of (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone. The (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone
The molecular formula of (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone is available in chemical formula page of (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone, 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 (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone
The molecular weight of (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone is available in molecular weight page of (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone, 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 (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone
The (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone including the various registry numbers, if available:
- (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone
(alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone? |
|---|
| C15H13ClO2 |
| How many atoms and what are the elements included the (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone molecule? |
| 31 atom(s) - 13 Hydrogen atom(s), 15 Carbon atom(s), 2 Oxygen atom(s), and 1 Chlorine atom(s) |
| How many chemical bonds and what kind of bonds are included the (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone structure? |
| 32 bond(s) - 19 non-H bond(s), 13 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 ketone(s) (aromatic), 1 hydroxyl group(s), and 1 secondary alcohol(s) |
| What’s the (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone’s molecular weight? |
| 260.71522 g/mol |
| What’s the SMILES code of (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone? |
| OC(C(Cl)c1ccccc1)C(=O)c2ccccc2 |
| What’s the InChI string of (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone? |
| InChI=1S/C15H13ClO2/c16-13(11-7-3-1-4-8-11)15(18)14(17)12-9-5-2-6-10-12/h1-10,13,15,18H/t13-,15+/m1/s1 |
| What’s the InChIKey code of (alphaR,betaR)-alpha-Hydroxy-beta-chloro-beta-phenylpropiophenone? |
| IMIXHMZSTVIWAK-HIFRSBDPSA-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).