2,2-Dimethyl-1-phenylpropane-1,3-diol
2,2-dimethyl-1-phenylpropane-1,3-diol
Also Known As: 2,2-dimethyl-1-phenylpropane-1,3-diol|NCIOpen2_000604|1-Phenyl-2,2-dimethyl-1,3-propanediol|(S)-2,2-Dimethyl-1-phenylpropane-1,3-diol|1,3-Propanediol,2,2-dimethyl-1-phenyl-|KS-00002BE3|(1R)-2,2-dimethyl-1-phenylpropane-1,3-diol|2,2-dimethyl-1-phenyl-propane-1,3-diol|SS-4823|1-Phenyl-2,2-dimethylpropane-1,3-diol|2,2-dimethyl-1-phenyl-1,3-propanediol|(1S)-2,2-dimethyl-1-phenylpropane-1,3-diol|2,2-DIMETHYL-1-PHENYL-1,3-PROPANEDIOL, 9 7%|807-269-0
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.11504 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.11504 |
| Monoisotopic Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 52178-66-2 |
|---|---|
| SMILES | CC(C)(CO)C(C1=CC=CC=C1)O |
| InChIKey | UTWCLCFHXYGTTF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dimethyl-1-phenylpropane-1,3-diol (CAS 52178-66-2), with molecular formula C11H16O2 and molecular weight 180.11504 g/mol. IUPAC: 2,2-dimethyl-1-phenylpropane-1,3-diol.