Basic information
- CAS
52098-16-5- Standard SMILES
O=C(CO)c1cc2ccccc2n1Cc1ccccc1- InChIKey
REAMHPYHKWQERZ-UHFFFAOYSA-N- Molecular formula
- C17H15NO2
- Average molar mass
- 265.31 g/mol
- Monoisotopic mass
- 265.11027872
Names & identifiers
- Preferred name
- Ketone, 1-benzyl-2-indolyl hydroxymethyl-
- IUPAC
- 1-(1-benzylindol-2-yl)-2-hydroxyethanone
Names & synonyms
BRN 14750651-Benzyl-2-(hydroxyacetyl)indoleKETONE, 1-BENZYL-2-INDOLYL HYDROXYMETHYL-1-Benzyl-2-indolyl hydroxymethyl ketone52098-16-5DTXSID402000875-21-12-00353 (Beilstein Handbook Reference)RefChem:350386DTXCID401225781-(1-benzyl-1H-indol-2-yl)-2-hydroxyethan-1-one
Database identifiers
- CAS
52098-16-5- PubChem CID
- 40228
- DTXSID
DTXSID40200087- Nikkaji
- J96.770J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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