1-[4-Acetyl-1-(4-hydroxy-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-ethanone
Basic information
- CAS
443297-73-2- Standard SMILES
CC(=O)c1c(C(C)=O)c(C)n(-c2ccc(O)cc2)c1C- InChIKey
LEBUXAGARKDEQN-UHFFFAOYSA-N- Molecular formula
- C16H17NO3
- Average molar mass
- 271.31 g/mol
- Monoisotopic mass
- 271.1208434
Names & identifiers
- Preferred name
- 1-[4-Acetyl-1-(4-hydroxy-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-ethanone
- IUPAC
- 1-[4-acetyl-1-(4-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone
Names & synonyms
SMR0001238671-[4-Acetyl-1-(4-hydroxy-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-ethanoneMLS000123285CHEMBL1562362SCHEMBL13993247DTXSID401149304HMS2465O22AKOS000665745443297-73-2SR-01000502143SR-01000502143-11,1'-[1-(4-Hydroxyphenyl)-2,5-dimethyl-1H-pyrrole-3,4-diyl]di(ethan-1-one)
Show more names
1,1a(2)-[1-(4-Hydroxyphenyl)-2,5-dimethyl-1H-pyrrole-3,4-diyl]bis[ethanone]
Database identifiers
- CAS
443297-73-2- PubChem CID
- 806572
- DTXSID
DTXSID401149304- ChEMBL
CHEMBL1562362
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 361
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Compound notes
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