Phenisonone
Basic information
- CAS
28227-96-5- Standard SMILES
CC(C)NC(C)C(=O)c1ccc(O)c(O)c1- InChIKey
GPHUDPVNXDFRCO-UHFFFAOYSA-N- Molecular formula
- C12H17NO3
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.1208434
Names & identifiers
- Preferred name
- Phenisonone
- IUPAC
- 1-(3,4-dihydroxyphenyl)-2-(propan-2-ylamino)propan-1-one
- English name
- 3',4'-Dihydroxy-α-(isopropylamino)propiophenone
- Molecular formula
- C12H17NO3
- Molecular weight
- 223.27
Names & synonyms
Phenisonone715646-49-4UNII-G9IMM52680G9IMM52680Propiophenone, 3',4'-dihydroxy-2-(isopropylamino)-BRN 22144481-Propanone, 1-(3,4-dihydroxyphenyl)-2-((1-methylethyl)amino)-3',4'-Dihydroxy-2-(isopropylamino)propiophenone28227-96-54-14-00-00850 (Beilstein Handbook Reference)1-Propanone, 1-(3,4-dihydroxyphenyl)-2-[(1-methylethyl)amino]-RefChem:172698
Show more names
3',4'-Dihydroxy-α-(isopropylamino)propiophenone
SCHEMBL2107796CHEMBL2110649DTXSID009509501-(3,4-Dihydroxyphenyl)-2-[(propan-2-yl)amino]propan-1-oneAKOS027413172DB-268635Q27278969
Database identifiers
- CAS
28227-96-5、715646-49-4- PubChem CID
- 71708
- DTXSID
DTXSID00950950- ChEMBL
CHEMBL2110649- UNII
- G9IMM52680
- Nikkaji
- J20.017D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- FDA UNII
- 9 IMM52680 · G9IMM52680
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Related reactions
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Compound notes
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