3-(1-Hydroxy-1-phenylethyl)-5-methyloxolan-2-one
Basic information
- CAS
113426-33-8- Standard SMILES
CC1CC(C(C)(O)c2ccccc2)C(=O)O1- InChIKey
LUILHZAMVIVGQQ-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.10994437
Names & identifiers
- Preferred name
- 3-(1-Hydroxy-1-phenylethyl)-5-methyloxolan-2-one
- IUPAC
- 3-(1-hydroxy-1-phenylethyl)-5-methyloxolan-2-one
Names & synonyms
113426-33-83-(1-Hydroxy-1-phenylethyl)-5-methyloxolan-2-oneDTXSID70603300
Database identifiers
- CAS
113426-33-8- PubChem CID
- 20187115
- DTXSID
DTXSID70603300- Nikkaji
- J1.875.567J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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