Basic information
- CAS
119648-50-9- Standard SMILES
CC(OS(C)(=O)=O)C(c1ccccc1)c1ccccc1- InChIKey
QPQKPEWSCVLMPV-UHFFFAOYSA-N- Molecular formula
- C16H18O3S
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.09766561
Names & identifiers
- Preferred name
- alpha-Methyl-beta-phenylbenzeneethanol methanesulfonate
- IUPAC
- 1,1-diphenylpropan-2-yl methanesulfonate
Names & synonyms
119648-50-91,1-diphenylpropan-2-yl methanesulfonatealpha-Methyl-beta-phenylbenzeneethanol methanesulfonateBenzeneethanol, alpha-methyl-beta-phenyl-, methanesulfonateDTXSID60923064
Database identifiers
- CAS
119648-50-9- PubChem CID
- 147452
- DTXSID
DTXSID60923064- Nikkaji
- J549.622E
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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