SDF/Mol File of (1R,2Z)-1,3-diphenylprop-2-en-1-ol (C15H14O)
Identification of (1R,2Z)-1,3-diphenylprop-2-en-1-ol Chemical Compound
| Chemical Formula | C15H14O |
|---|---|
| Molecular Weight | 210.27106 g/mol |
| IUPAC Name | (1R,2Z)-1,3-diphenylprop-2-en-1-ol |
| SMILES String | OC(C=Cc1ccccc1)c2ccccc2 |
| InChI | InChI=1S/C15H14O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12,15-16H/b12-11-/t15-/m1/s1 |
| InChIKey | ORACYDGVNJGDMI-QYMJWVLRSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of (1R,2Z)-1,3-diphenylprop-2-en-1-ol is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of (1R,2Z)-1,3-diphenylprop-2-en-1-ol molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
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Additional Information for Identifying (1R,2Z)-1,3-diphenylprop-2-en-1-ol Molecule
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Chemical structure of (1R,2Z)-1,3-diphenylprop-2-en-1-ol
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (1R,2Z)-1,3-diphenylprop-2-en-1-ol is available in chemical structure page of (1R,2Z)-1,3-diphenylprop-2-en-1-ol, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of (1R,2Z)-1,3-diphenylprop-2-en-1-ol
The molecular weight of (1R,2Z)-1,3-diphenylprop-2-en-1-ol is available in molecular weight page of (1R,2Z)-1,3-diphenylprop-2-en-1-ol, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of (1R,2Z)-1,3-diphenylprop-2-en-1-ol
The chemical formula of (1R,2Z)-1,3-diphenylprop-2-en-1-ol is given in chemical formula page of (1R,2Z)-1,3-diphenylprop-2-en-1-ol, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of (1R,2Z)-1,3-diphenylprop-2-en-1-ol
An alternative way of expressing structural information in text format is InChI. The full standard InChI of (1R,2Z)-1,3-diphenylprop-2-en-1-ol is:
InChI=1S/C15H14O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12,15-16H/b12-11-/t15-/m1/s1
It can provide a standard way to encode the molecular information of (1R,2Z)-1,3-diphenylprop-2-en-1-ol to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of (1R,2Z)-1,3-diphenylprop-2-en-1-ol is:
InChIKey=ORACYDGVNJGDMI-QYMJWVLRSA-N
The InChIKey may allow easier web searches for (1R,2Z)-1,3-diphenylprop-2-en-1-ol, but it needs to be linked to the full InChI to get back to the original structure of the (1R,2Z)-1,3-diphenylprop-2-en-1-ol since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of (1R,2Z)-1,3-diphenylprop-2-en-1-ol
The (1R,2Z)-1,3-diphenylprop-2-en-1-ol compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (1R,2Z)-1,3-diphenylprop-2-en-1-ol including the registry numbers are listed below, if available:
None available.
(1R,2Z)-1,3-diphenylprop-2-en-1-ol Identification Summary Frequently Asked Questions (FAQs)
| What’s the (1R,2Z)-1,3-diphenylprop-2-en-1-ol formula? |
|---|
| C15H14O |
| How many atoms and what elements are included in the (1R,2Z)-1,3-diphenylprop-2-en-1-ol molecule? |
| 30 atom(s) - 14 Hydrogen atom(s), 15 Carbon atom(s), and 1 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are in the (1R,2Z)-1,3-diphenylprop-2-en-1-ol structure? |
| 31 bond(s) - 17 non-H bond(s), 13 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 hydroxyl group(s), and 1 secondary alcohol(s) |
| What’s the (1R,2Z)-1,3-diphenylprop-2-en-1-ol’s molar mass? |
| 210.27106 g/mol |
| What’s the SMILES structure of (1R,2Z)-1,3-diphenylprop-2-en-1-ol? |
| OC(C=Cc1ccccc1)c2ccccc2 |
| What’s the InChI code of (1R,2Z)-1,3-diphenylprop-2-en-1-ol? |
| InChI=1S/C15H14O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12,15-16H/b12-11-/t15-/m1/s1 |
| What’s the InChIKey format of (1R,2Z)-1,3-diphenylprop-2-en-1-ol? |
| ORACYDGVNJGDMI-QYMJWVLRSA-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).