3-(1-Hydroxy-2-phenylethyl)-1H-indole-5-carbonitrile
Basic information
- CAS
17380-27-7- Standard SMILES
N#Cc1ccc2[nH]cc(C(O)Cc3ccccc3)c2c1- InChIKey
FYFJYVULGPVOJY-UHFFFAOYSA-N- Molecular formula
- C17H14N2O
- Average molar mass
- 262.3 g/mol
- Monoisotopic mass
- 262.11061307
Names & identifiers
- Preferred name
- 3-(1-Hydroxy-2-phenylethyl)-1H-indole-5-carbonitrile
- IUPAC
- 3-(1-hydroxy-2-phenylethyl)-1H-indole-5-carbonitrile
Names & synonyms
17380-27-7DTXSID209384323-(1-hydroxy-2-phenylethyl)-1H-indole-5-carbonitrileRefChem:1066386DTXCID4013669621-((5-Cyano)-3-indolyl)-2-phenyl ethanol1-Ethanol, 1-(5-cyano-3-indolyl)-2-phenyl-3-(alpha-Hydroxyphenethyl)indole-5-carbonitrileINDOLE-5-CARBONITRILE, 3-(alpha-HYDROXYPHENETHYL)-
Database identifiers
- CAS
17380-27-7- PubChem CID
- 28509
- DTXSID
DTXSID20938432
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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