4-Acetyl-5-(4-methylanilino)-1,6-dihydro[1,1'-biphenyl]-3(2H)-one
Basic information
- CAS
143768-20-1- Standard SMILES
CC(=O)C1=C(O)CC(c2ccccc2)CC1=Nc1ccc(C)cc1- InChIKey
RXAWGYHHNHCQLY-UHFFFAOYSA-N- Molecular formula
- C21H21NO2
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.15722891
Names & identifiers
- Preferred name
- 4-Acetyl-5-(4-methylanilino)-1,6-dihydro[1,1'-biphenyl]-3(2H)-one
- IUPAC
- 1-[2-hydroxy-6-(4-methylphenyl)imino-4-phenylcyclohexen-1-yl]ethanone
Names & synonyms
143768-20-14-Acetyl-5-(4-methylanilino)-1,6-dihydro[1,1'-biphenyl]-3(2H)-oneDTXSID80771564
Database identifiers
- CAS
143768-20-1- PubChem CID
- 136229484
- DTXSID
DTXSID80771564
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 520
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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