1-(3-Acetyl-4-anilino-6-hydroxy-6-methyl-2-phenylcyclohex-3-en-1-yl)ethanone
Basic information
- CAS
161265-85-6- Standard SMILES
CC(=O)C1=C(Nc2ccccc2)CC(C)(O)C(C(C)=O)C1c1ccccc1- InChIKey
FEAUWCGFLYHOEV-UHFFFAOYSA-N- Molecular formula
- C23H25NO3
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.18344366
Names & identifiers
- Preferred name
- 1-(3-Acetyl-4-anilino-6-hydroxy-6-methyl-2-phenylcyclohex-3-en-1-yl)ethanone
- IUPAC
- 1-(3-acetyl-4-anilino-6-hydroxy-6-methyl-2-phenylcyclohex-3-en-1-yl)ethanone
Names & synonyms
1-(3-acetyl-4-anilino-6-hydroxy-6-methyl-2-phenylcyclohex-3-en-1-yl)ethanone161265-85-6MLS001029713CHEMBL1339436DTXSID901321420HMS2799A03STL327112AKOS022097160SMR000427044AG-690/127663171,1'-[6-hydroxy-6-methyl-2-phenyl-4-(phenylamino)cyclohex-3-ene-1,3-diyl]diethanone1-(3-acetyl-4-anilino-6-hydroxy-6-methyl-2-phenyl-3-cyclohexen-1-yl)ethanone
Show more names
1-(5-Acetyl-4-hydroxy-4-methyl-6-phenyl-2-phenylamino-cyclohex-1-enyl)-ethanone1,1'-(3-hydroxy-3-methyl-5-(phenylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone1,1'-(5-Anilino-3-hydroxy-3-methyl-1,2,3,4-tetrahydro[1,1'-biphenyl]-2,6-diyl)di(ethan-1-one)
Database identifiers
- CAS
161265-85-6- PubChem CID
- 3452234
- DTXSID
DTXSID901321420- ChEMBL
CHEMBL1339436
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 599
Experimental & physicochemical properties
Solubility4.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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