1-(3-Dimethylaminomethyl-2,4-dihydroxy-phenyl)-2-(2-fluoro-phenoxy)-ethanone
Basic information
- CAS
883793-29-1- Standard SMILES
CN(C)Cc1c(O)ccc(C(=O)COc2ccccc2F)c1O- InChIKey
PPSPWGCPDBCUOV-UHFFFAOYSA-N- Molecular formula
- C17H18FNO4
- Average molar mass
- 319.33 g/mol
- Monoisotopic mass
- 319.12198622
Names & identifiers
- Preferred name
- 1-(3-Dimethylaminomethyl-2,4-dihydroxy-phenyl)-2-(2-fluoro-phenoxy)-ethanone
- IUPAC
- 1-[3-[(dimethylamino)methyl]-2,4-dihydroxyphenyl]-2-(2-fluorophenoxy)ethanone
- English name
- 1-(3-Dimethylaminomethyl-2,4-dihydroxy-phenyl)-2-(2-fluoro-phenoxy)-ethanone
- Molecular weight
- 0
Names & synonyms
AKOS024326242ST504493601-(3-DIMETHYLAMINOMETHYL-2,4-DIHYDROXY-PHENYL)-2-(2-FLUORO-PHENOXY)-ETHANONE1-[3-[(dimethylamino)methyl]-2,4-dihydroxyphenyl]-2-(2-fluorophenoxy)ethanone
Database identifiers
- CAS
883793-29-1- PubChem CID
- 4533009
- EC Number
- 159-140-7
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 393
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Compound notes
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