Molecular Weight of Morclofone (C21H24ClNO5)
Identification of Morclofone Chemical Compound
Chemical Formula | C21H24ClNO5 |
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Molecular Weight | 405.87166 g/mol |
IUPAC Name | 4-(2-{4-[(4-chlorophenyl)carbonyl]-2,6-dimethoxyphenoxy}ethyl)morpholine |
SMILES String | COc1cc(cc(OC)c1OCCN2CCOCC2)C(=O)c3ccc(Cl)cc3 |
InChI | InChI=1S/C21H24ClNO5/c1-25-18-13-16(20(24)15-3-5-17(22)6-4-15)14-19(26-2)21(18)28-12-9-23-7-10-27-11-8-23/h3-6,13-14H,7-12H2,1-2H3 |
InChIKey | KVCJCEKJKGLBOK-UHFFFAOYSA-N |
Molecular Weight Description
The Morclofone molecule consists of 24 Hydrogen atom(s), 21 Carbon atom(s), 1 Nitrogen atom(s), 5 Oxygen atom(s), and 1 Chlorine atom(s) - a total of 52 atom(s). The molecular weight of Morclofone is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 405.87166 · \frac{g}{mol} $$
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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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Morclofone Molecule
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Structure Data File (SDF/MOL File) of Morclofone
The structure data file (SDF/MOL File) of Morclofone is available for download in the SDF page of Morclofone, which provides the information on atoms, bonds, connectivity and coordinates of Morclofone. The Morclofone 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 Morclofone
The molecular structure image of Morclofone is available in chemical structure page of Morclofone, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Morclofone and the chemical bonds that hold the atoms together.
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Chemical formula of Morclofone
The molecular formula of Morclofone is given in chemical formula page of Morclofone, 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 Morclofone
In addition to the molecular weight information, the structural information of Morclofone in a textual expression is available via InChi. The full standard InChI of Morclofone is given below:
InChI=1S/C21H24ClNO5/c1-25-18-13-16(20(24)15-3-5-17(22)6-4-15)14-19(26-2)21(18)28-12-9-23-7-10-27-11-8-23/h3-6,13-14H,7-12H2,1-2H3
It can provide a way to encode the molecular information of Morclofone 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 Morclofone is:
InChIKey=KVCJCEKJKGLBOK-UHFFFAOYSA-N
It may allow easier web searches for Morclofone. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Morclofone as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Morclofone
There may be different names of the Morclofone compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- Methanone, (4-chlorophenyl)(3,5-dimethoxy-4-(2-(4-morpholinyl)ethoxy)phenyl)- (9CI)
- (4-chlorophenyl)-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methanone
- D07395
- Methanone, (4-chlorophenyl)(3,5-dimethoxy-4-(2-(4-morpholinyl)ethoxy)phenyl)-
- 31848-02-9 (hydrochloride)
- VY62TIB872
- Plausitin (TN)
- dimecolphenone
- C21H24ClNO5
- Morclofonum
- Morclofona
- BENZOPHENONE, 4'-CHLORO-3,5-DIMETHOXY-4-(2-MORPHOLINOETHOXY)-
- 4'-Chloro-3,5-dimethoxy-4-(2-morpholinoethoxy)benzophenone
- Morclofone (INN)
- K 3712
- 31848-01-8
- Nitux
- Morclofone [INN]
- Morclofona [INN-Spanish]
- Morclofonum [INN-Latin]
- Dimeclophenone
- Morclofone
Morclofone Identification Summary Frequently Asked Questions (FAQs)
What’s the formula of Morclofone? |
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C21H24ClNO5 |
How many atoms and what are the elements in the Morclofone molecule? |
52 atom(s) - 24 Hydrogen atom(s), 21 Carbon atom(s), 1 Nitrogen atom(s), 5 Oxygen atom(s), and 1 Chlorine atom(s) |
How many chemical bonds and what types of bonds are in the Morclofone structure? |
54 bond(s) - 30 non-H bond(s), 13 multiple bond(s), 8 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 1 ketone(s) (aromatic), 1 tertiary amine(s) (aliphatic), 1 ether(s) (aliphatic), and 3 ether(s) (aromatic) |
What’s the molar mass of Morclofone? |
405.87166 g/mol |
What’s the SMILES format of Morclofone? |
COc1cc(cc(OC)c1OCCN2CCOCC2)C(=O)c3ccc(Cl)cc3 |
What’s the InChI format of Morclofone? |
InChI=1S/C21H24ClNO5/c1-25-18-13-16(20(24)15-3-5-17(22)6-4-15)14-19(26-2)21(18)28-12-9-23-7-10-27-11-8-23/h3-6,13-14H,7-12H2,1-2H3 |
What’s the InChIKey string of Morclofone? |
KVCJCEKJKGLBOK-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).