Basic information
- CAS
82105-35-9- Standard SMILES
Cc1ccc([C@H](O)[C@H](C)C(=O)c2ccccc2)cc1- InChIKey
VMHIDNSPRCRSKI-CXAGYDPISA-N- Molecular formula
- C17H18O2
- Average molar mass
- 254.32 g/mol
- Monoisotopic mass
- 254.13067981
Names & identifiers
- Preferred name
- rel-(2R,3S)-3-Hydroxy-2-methyl-3-(4-methylphenyl)-1-phenyl-1-propanone
- IUPAC
- (2S,3R)-3-hydroxy-2-methyl-3-(4-methylphenyl)-1-phenylpropan-1-one
Names & synonyms
82105-35-9rel-(2R,3S)-3-Hydroxy-2-methyl-3-(4-methylphenyl)-1-phenyl-1-propanoneRefChem:379114DTXSID301154588(2S,3R)-3-hydroxy-2-methyl-3-(4-methylphenyl)-1-phenylpropan-1-one
Database identifiers
- CAS
82105-35-9- PubChem CID
- 12759347
- DTXSID
DTXSID301154588- Nikkaji
- J2.126.192K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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