Ethanone, 1-(4-methoxy-2-methyl-5-phenyl-1H-pyrrol-3-yl)-
Basic information
- CAS
91480-98-7- Standard SMILES
COc1c(-c2ccccc2)[nH]c(C)c1C(C)=O- InChIKey
STVAKQXCVOLTDT-UHFFFAOYSA-N- Molecular formula
- C14H15NO2
- Average molar mass
- 229.27 g/mol
- Monoisotopic mass
- 229.11027872
Names & identifiers
- Preferred name
- Ethanone, 1-(4-methoxy-2-methyl-5-phenyl-1H-pyrrol-3-yl)-
- IUPAC
- 1-(4-methoxy-2-methyl-5-phenyl-1H-pyrrol-3-yl)ethanone
Names & synonyms
1-(4-Methoxy-2-methyl-5-phenyl-1H-pyrrol-3-yl)ethanoneETHANONE, 1-(4-METHOXY-2-METHYL-5-PHENYL-1H-PYRROL-3-YL)-Ketone, (4-methoxy-2-methyl-5-phenylpyrrol-3-yl) methyl91480-98-7DTXSID20238585RefChem:341228DTXCID701610761-(4-methoxy-2-methyl-5-phenyl-1H-pyrrol-3-yl)ethan-1-one
Database identifiers
- CAS
91480-98-7- PubChem CID
- 56248
- DTXSID
DTXSID20238585- Nikkaji
- J61.528E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 273
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Compound notes
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