3-Benzoyloxyacetylindole
Basic information
- CAS
2400-52-4- Standard SMILES
O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccccc1- InChIKey
SWYFHXFOEDBRAI-UHFFFAOYSA-N- Molecular formula
- C17H13NO3
- Average molar mass
- 279.29 g/mol
- Monoisotopic mass
- 279.08954328
Names & identifiers
- Preferred name
- 3-Benzoyloxyacetylindole
- IUPAC
- [2-(1H-indol-3-yl)-2-oxoethyl] benzoate
Names & synonyms
3-BenzoyloxyacetylindoleBRN 15419582-(Benzoyloxy)-1-(1H-indol-3-yl)ethanoneDTXSID40178732Ethanone, 2-(benzoyloxy)-1-(1H-indol-3-yl)-5-21-12-00354 (Beilstein Handbook Reference)RefChem:276963DTXCID001012232400-52-42-(1H-INDOL-3-YL)-2-OXOETHYL BENZOATE
Database identifiers
- CAS
2400-52-4- PubChem CID
- 200632
- DTXSID
DTXSID40178732
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 389
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Compound notes
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