Molecular Weight of Lunularin (C14H14O2)
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| Chemical Formula | C14H14O2 |
|---|---|
| Molecular Weight | 214.25976 g/mol |
| IUPAC Name | 3-[2-(4-hydroxyphenyl)ethyl]phenol |
| SMILES String | Oc2ccc(CCc1cccc(O)c1)cc2 |
| InChI | InChI=1S/C14H14O2/c15-13-8-6-11(7-9-13)4-5-12-2-1-3-14(16)10-12/h1-3,6-10,15-16H,4-5H2 |
| InChIKey | ILEYXPCRQKRNIJ-UHFFFAOYSA-N |
| Citation | CC-DPS (Chemical Compounds Deep Profiling Services; https://www.cc-dps.com) powered by 41 patented QSQN technology based on Quantum Chemistry, Statistical Thermodynamics, Quantitative Structure-Property Relationship (QSPR), and Neural Network. |
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Molecular Weight Description
The Lunularin molecule consists of 14 Hydrogen atom(s), 14 Carbon atom(s), and 2 Oxygen atom(s) - a total of 30 atom(s). The molecular weight of Lunularin is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 214.25976 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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Input example for Ethanol:
- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Additional Information for Identifying Lunularin Molecule
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Structure Data File (SDF/MOL File) of Lunularin
The structure data file (SDF/MOL File) of Lunularin is available for download in the SDF page of Lunularin, which provides the information on atoms, bonds, connectivity and coordinates of Lunularin. The Lunularin structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of Lunularin
The molecular structure image of Lunularin is available in chemical structure page of Lunularin, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Lunularin and the chemical bonds that hold the atoms together.
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Chemical formula of Lunularin
The molecular formula of Lunularin is given in chemical formula page of Lunularin, 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 Lunularin
In addition to the molecular weight information, the structural information of Lunularin in a textual expression is available via InChi. The full standard InChI of Lunularin is given below:
InChI=1S/C14H14O2/c15-13-8-6-11(7-9-13)4-5-12-2-1-3-14(16)10-12/h1-3,6-10,15-16H,4-5H2
It can provide a way to encode the molecular information of Lunularin 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 Lunularin is:
InChIKey=ILEYXPCRQKRNIJ-UHFFFAOYSA-N
It may allow easier web searches for Lunularin. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Lunularin as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Lunularin
There may be different names of the Lunularin compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- 1-(4-Hydroxyphenyl)-2-(3-hydroxyphenyl)ethane
- LMPK13090039
- 3,4'-(ethane-1,2-diyl)diphenol
- 3-(4-Hydroxyphenethyl)phenol
- 3,4'-Ethylenebisphenol
- 37116-80-6
- Lunularin
Lunularin Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of Lunularin? |
|---|
| C14H14O2 |
| How many atoms and what are the elements in the Lunularin molecule? |
| 30 atom(s) - 14 Hydrogen atom(s), 14 Carbon atom(s), and 2 Oxygen atom(s) |
| How many chemical bonds and what types of bonds are in the Lunularin structure? |
| 31 bond(s) - 17 non-H bond(s), 12 multiple bond(s), 3 rotatable bond(s), 12 aromatic bond(s), 2 six-membered ring(s), and 2 aromatic hydroxyl(s) |
| What’s the molar mass of Lunularin? |
| 214.25976 g/mol |
| What’s the SMILES format of Lunularin? |
| Oc2ccc(CCc1cccc(O)c1)cc2 |
| What’s the InChI format of Lunularin? |
| InChI=1S/C14H14O2/c15-13-8-6-11(7-9-13)4-5-12-2-1-3-14(16)10-12/h1-3,6-10,15-16H,4-5H2 |
| What’s the InChIKey string of Lunularin? |
| ILEYXPCRQKRNIJ-UHFFFAOYSA-N |