Ethanone, 1-(4-hydroxy-2-methyl-5-phenyl-1H-pyrrol-3-yl)-
Basic information
- CAS
91480-97-6- Standard SMILES
CC(=O)c1c(C)[nH]c(-c2ccccc2)c1O- InChIKey
ZYNZWFKEUTXGJB-UHFFFAOYSA-N- Molecular formula
- C13H13NO2
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.09462866
Names & identifiers
- Preferred name
- Ethanone, 1-(4-hydroxy-2-methyl-5-phenyl-1H-pyrrol-3-yl)-
- IUPAC
- 1-(4-hydroxy-2-methyl-5-phenyl-1H-pyrrol-3-yl)ethanone
Names & synonyms
1-(4-Hydroxy-2-methyl-5-phenyl-1H-pyrrol-3-yl)ethanone91480-97-6ETHANONE, 1-(4-HYDROXY-2-METHYL-5-PHENYL-1H-PYRROL-3-YL)-Ketone, (4-hydroxy-2-methyl-5-phenyl-1H-pyrrol-3-yl) methylDTXSID60238584RefChem:341225DTXCID10161075SCHEMBL2802331-(4-hydroxy-2-methyl-5-phenyl-1H-pyrrol-3-yl)ethan-1-oneAKOS024357158ST509853043-acetyl-4-hydroxy-2-methyl-5-phenylpyrrole
Database identifiers
- CAS
91480-97-6- PubChem CID
- 56247
- DTXSID
DTXSID60238584- Nikkaji
- J61.527G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 261
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Compound notes
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