1-[1-(4-Ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethan-1-one
Basic information
- CAS
647841-58-5- Standard SMILES
CCOc1ccc(-n2c(C)cc(C(C)=O)c2C)cc1- InChIKey
URMZMETZLUFCJW-UHFFFAOYSA-N- Molecular formula
- C16H19NO2
- Average molar mass
- 257.33 g/mol
- Monoisotopic mass
- 257.14157885
Names & identifiers
- Preferred name
- 1-[1-(4-Ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethan-1-one
- IUPAC
- 1-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone
Names & synonyms
647841-58-51-(1-(4-Ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanoneSCHEMBL5004534DTXSID10602554URMZMETZLUFCJW-UHFFFAOYSA-N1-[1-(4-Ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethan-1-oneAKOS0003433763-acetyl-2,5-dimethyl-1-(4-ethoxyphenyl)pyrrole
Database identifiers
- CAS
647841-58-5- PubChem CID
- 20109653
- DTXSID
DTXSID10602554
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 310
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Related reactions
4 records
Compound notes
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