Basic information
- CAS
350845-62-4- Standard SMILES
C=C(C[C@H](O)C(=O)c1ccccc1)C(C)C- InChIKey
DIZSVYDWHMXOQO-ZDUSSCGKSA-N- Molecular formula
- C14H18O2
- Average molar mass
- 218.29 g/mol
- Monoisotopic mass
- 218.13067981
Names & identifiers
- Preferred name
- 1-Hexanone, 2-hydroxy-5-methyl-4-methylene-1-phenyl-, (2S)-
- IUPAC
- (2S)-2-hydroxy-5-methyl-4-methylidene-1-phenylhexan-1-one
Names & synonyms
350845-62-4(2S)-2-hydroxy-5-methyl-4-methylidene-1-phenylhexan-1-one1-Hexanone, 2-hydroxy-5-methyl-4-methylene-1-phenyl-, (2S)-DTXSID40469814
Database identifiers
- CAS
350845-62-4- PubChem CID
- 11637124
- DTXSID
DTXSID40469814- Nikkaji
- J1.654.014E
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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