2-(4-Methoxy-2-nitrophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
Basic information
- CAS
852543-49-8- Standard SMILES
COc1ccc(OCC(=O)N2c3ccccc3CC2C)c([N+](=O)[O-])c1- InChIKey
KFYRGQSQUKQIPK-UHFFFAOYSA-N- Molecular formula
- C18H18N2O5
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.12157168
Names & identifiers
- Preferred name
- 2-(4-Methoxy-2-nitrophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
- IUPAC
- 2-(4-methoxy-2-nitrophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
Names & synonyms
2-(4-methoxy-2-nitrophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanoneMLS002251982CHEMBL1717161DTXSID501319790HMS3086M12AKOS033932279852543-49-8SMR001314339AB00732477-01Z250918942-(4-methoxy-2-nitrophenoxy)-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one
Database identifiers
- CAS
852543-49-8- PubChem CID
- 4783262
- DTXSID
DTXSID501319790- ChEMBL
CHEMBL1717161
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 494
Experimental & physicochemical properties
Solubility17.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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