Dilmefone
Basic information
- CAS
37398-31-5- Standard SMILES
COc1ccc(C(=O)/C=C/c2ccncc2)c(OC)c1- InChIKey
HIPIFFZGPOCRPX-ZZXKWVIFSA-N- Molecular formula
- C16H15NO3
- Average molar mass
- 269.29 g/mol
- Monoisotopic mass
- 269.10519334
Names & identifiers
- Preferred name
- Dilmefone
- IUPAC
- (E)-1-(2,4-dimethoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one
Names & synonyms
DilmefoneDilmefona37398-31-5DilmefonumDilmefone [INN:DCF]UNII-QIO667518T1-(2,4-Dimethoxyphenyl)-3-(4-pyridyl)propenonQIO667518T1-(2,4-Dimethoxyphenyl)-3-(4-pyridyl)propenon [IUPAC]2',4'-Dimethoxy-3-(4-pyridyl)acrylophenoneDILMEFONE [INN]1-(2,4-Dimethoxyphenyl)-3-(4-pyridyl)propenon (IUPAC)
Show more names
RefChem:1341271-(2,4-dimethoxyphenyl)-3-(pyridin-4-yl)prop-2-en-1-one(E)-1-(2,4-dimethoxyphenyl)-3-pyridin-4-ylprop-2-en-1-oneCHEMBL241782SCHEMBL2109149DTXSID901043288
Database identifiers
- CAS
37398-31-5- PubChem CID
- 6445006
- DTXSID
DTXSID901043288- ChEMBL
CHEMBL241782- Nikkaji
- J19.439E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…