4-(4-tert-Butyl-3-chlorophenyl)-1-(morpholin-4-yl)butan-1-one
Basic information
- CAS
32808-67-6- Standard SMILES
CC(C)(C)c1ccc(CCCC(=O)N2CCOCC2)cc1Cl- InChIKey
KJOYLIOWQRXSSX-UHFFFAOYSA-N- Molecular formula
- C18H26ClNO2
- Average molar mass
- 323.9 g/mol
- Monoisotopic mass
- 323.1652068
Names & identifiers
- Preferred name
- 4-(4-tert-Butyl-3-chlorophenyl)-1-(morpholin-4-yl)butan-1-one
- IUPAC
- 4-(4-tert-butyl-3-chlorophenyl)-1-morpholin-4-ylbutan-1-one
Names & synonyms
32808-67-64-(4-tert-butyl-3-chlorophenyl)-1-(morpholin-4-yl)butan-1-oneDTXSID50954468RefChem:1069989DTXCID601382487CB 792BRN 12217924-(4-(3-Chloro-4-(1,1-dimethylethyl)phenyl)-1-oxobutyl)morpholineMorpholine, 4-(4-(3-chloro-4-(1,1-dimethylethyl)phenyl)-1-oxobutyl)-
Database identifiers
- CAS
32808-67-6- PubChem CID
- 208683
- DTXSID
DTXSID50954468
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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