Structure & Deep Data of Diphenyl oxide (C12H10O)
Identification of Diphenyl oxide Chemical Compound
Chemical Formula | C12H10O |
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Molecular Weight | 170.2072 g/mol |
IUPAC Name | phenoxybenzene |
SMILES String | O(c1ccccc1)c2ccccc2 |
InChI | InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H |
InChIKey | USIUVYZYUHIAEV-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 Diphenyl oxide molecule contains a total of 24 bond(s). There are 14 non-H bond(s), 12 multiple bond(s), 2 rotatable bond(s), 12 aromatic bond(s), 2 six-membered ring(s), and 1 ether(s) (aromatic). Images of the chemical structure of Diphenyl oxide are given below:
The 2D chemical structure image of Diphenyl oxide is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Diphenyl oxide 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 Diphenyl oxide 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 Diphenyl oxide. 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 Diphenyl oxide is provided here.
The Diphenyl oxide 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 Diphenyl oxide 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 Diphenyl oxide 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 Diphenyl oxide Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Diphenyl oxide
The SMILES string of Diphenyl oxide is O(c1ccccc1)c2ccccc2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Diphenyl oxide.
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Structure Data File (SDF/MOL File) of Diphenyl oxide
The structure data file (SDF/MOL File) of Diphenyl oxide is available for download in the SDF page of Diphenyl oxide, which provides the information about the atoms, bonds, connectivity and coordinates of Diphenyl oxide. The Diphenyl oxide structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Diphenyl oxide
The molecular formula of Diphenyl oxide is available in chemical formula page of Diphenyl oxide, 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 Diphenyl oxide
The molecular weight of Diphenyl oxide is available in molecular weight page of Diphenyl oxide, 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 Diphenyl oxide
The Diphenyl oxide compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Diphenyl oxide including the various registry numbers, if available:
- BBV-75779872
- 32576-61-7
- F1908-0183
- Z57127518
- J-520381
- J-000505
- I14-4054
- A800474
- Diphenyl ether, Vetec(TM) reagent grade, 98%
- Diphenyl ether, Selectophore(TM), >=99.9%
- Diphenyl ether, SAJ first grade, >=98.0%
- AZ0001-0008
- P0177
- Diphenyl ether, ReagentPlus(R), >=99%
- RTR-000448
- Diphenyl ether, ReagentPlus(R), 99%
- ANW-14535
- 3O695R5M1U
- Diphenyl ether, 99% 500g
- Diphenyl ether, >=99%, FG
- ARONIS25147
- Diphenyl oxide; Phenyl ether
- 1,1'-oxybis-benzene
- Phenyl ether (8CI)
- Benzene,1'-oxybis-
- (4-Phenoxy)benzene
- 1-phenoxy benzene
- phenoxy-benzene
- diphenyl-ether
- bisphenyl ether
- Diphenyloxid
- Diphenylaether
- phenylether
- bisphenylether
- CAS-101-84-8
- MFCD00003034
- FEMA No. 3667
- 1-Phenoxybenzene
- Ether, diphenyl
- Diphenylether
- 1,1'-Oxybisbenzene
- Phenyl ether, vapor
- 1,1'-Oxybis(benzene)
- Chemcryl JK-EB
- Geranium crystals
- 1,1'-oxydibenzene
- Oxydiphenyl
- Benzene, phenoxy-
- Ether, diphenyl-
- Benzene, 1,1'-oxybis-
- Biphenyl oxide
- Oxybisbenzene
- Phenyl oxide
- Oxydibenzene
- 101-84-8
- Phenyl ether
- DIPHENYL ETHER
- Diphenyl oxide
Diphenyl oxide Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of Diphenyl oxide? |
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C12H10O |
How many atoms and what are the elements included the Diphenyl oxide molecule? |
23 atom(s) - 10 Hydrogen atom(s), 12 Carbon atom(s), and 1 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the Diphenyl oxide structure? |
24 bond(s) - 14 non-H bond(s), 12 multiple bond(s), 2 rotatable bond(s), 12 aromatic bond(s), 2 six-membered ring(s), and 1 ether(s) (aromatic) |
What’s the Diphenyl oxide’s molecular weight? |
170.2072 g/mol |
What’s the SMILES code of Diphenyl oxide? |
O(c1ccccc1)c2ccccc2 |
What’s the InChI string of Diphenyl oxide? |
InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H |
What’s the InChIKey code of Diphenyl oxide? |
USIUVYZYUHIAEV-UHFFFAOYSA-N |
1619
The contents of this page can freely be shared if cited as follows:
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).