1-(2-Phenoxyethyl)-1H-indole-3-carbaldehyde
Basic information
- CAS
299936-51-9- Standard SMILES
O=Cc1cn(CCOc2ccccc2)c2ccccc12- InChIKey
FKONHADGXDSKNF-UHFFFAOYSA-N- Molecular formula
- C17H15NO2
- Average molar mass
- 265.31 g/mol
- Monoisotopic mass
- 265.11027872
Names & identifiers
- Preferred name
- 1-(2-Phenoxyethyl)-1H-indole-3-carbaldehyde
- IUPAC
- 1-(2-phenoxyethyl)indole-3-carbaldehyde
Names & synonyms
1-(2-Phenoxyethyl)-1H-indole-3-carbaldehyde299936-51-91-(2-phenoxyethyl)indole-3-carbaldehydeMFCD02197468CBMicro_0139271-(2-Phenoxy-ethyl)-1H-indole-3-carbaldehydeOprea1_816963Oprea1_865004MLS001204999CHEMBL1377083DTXSID401332224HMS2820C05
Show more names
SMSF0013713BBL024029STL286527AKOS000103922CB07354SMR000516895SY417337VS-07614
Database identifiers
- CAS
299936-51-9- PubChem CID
- 775562
- DTXSID
DTXSID401332224- ChEMBL
CHEMBL1377083
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 314
Experimental & physicochemical properties
Solubility12.9 [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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