2-(3-methyl-1H-indol-1-yl)-1-phenylethanone
Basic information
- CAS
80884-56-6- Standard SMILES
Cc1cn(CC(=O)c2ccccc2)c2ccccc12- InChIKey
GHOPHUHSHPHZKV-UHFFFAOYSA-N- Molecular formula
- C17H15NO
- Average molar mass
- 249.31 g/mol
- Monoisotopic mass
- 249.1153641
Names & identifiers
- Preferred name
- 2-(3-methyl-1H-indol-1-yl)-1-phenylethanone
- IUPAC
- 2-(3-methylindol-1-yl)-1-phenylethanone
Names & synonyms
80884-56-62-(3-methyl-1H-indol-1-yl)-1-phenylethanone2-(3-methyl-1H-indol-1-yl)-1-phenylethan-1-one2-(3-methylindol-1-yl)-1-phenylethanoneF1011-0497phenacylskatole2-(3-Methyl-indol-1-yl)-1-phenyl-ethanoneCambridge id 5315243MLS001210574SCHEMBL6224417CHEMBL1410397DTXSID501322876
Show more names
HMS1580I10HMS2837A04SMSSF-0062673STK835320AKOS000630341SMR000513545ST51170330VU0013646-1
Database identifiers
- CAS
80884-56-6- PubChem CID
- 766356
- DTXSID
DTXSID501322876- ChEMBL
CHEMBL1410397
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Experimental & physicochemical properties
Solubility1.2 [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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