5-Methyl-5-phenyloxolan-2-one
Basic information
- CAS
21303-80-0- Standard SMILES
CC1(c2ccccc2)CCC(=O)O1- InChIKey
JIJBMROEIDUWCW-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Names & identifiers
- Preferred name
- 5-Methyl-5-phenyloxolan-2-one
- IUPAC
- 5-methyl-5-phenyloxolan-2-one
- English name
- Dihydro-5-methyl-5-phenyl-2(3H)-furanone
- Molecular formula
- C11H12O2
- Molecular weight
- 176.21
Names & synonyms
21303-80-05-methyl-5-phenyldihydrofuran-2(3H)-one4-Methyl-4-phenylbutyrolactone5-methyl-5-phenyloxolan-2-oneDihydro-5-methyl-5-phenyl-2(3H)-furanone2(3H)-Furanone, dihydro-5-methyl-5-phenyl-ChemDiv2_001752SCHEMBL6239764DTXSID90943811JIJBMROEIDUWCW-UHFFFAOYSA-NHMS1373P14STK040844
Show more names
5-Phenyl-5-methyloxolane-2-one5-Phenyl-5-methyltetrahydrofuran-2-one4-Hydroxy-4-phenylpentanoic acid lactoneDihydro-5-methyl-5-phenylfuran-2(3H)-one5-Methyl-5-phenyl-4,5-dihydro-2(3H)-furanone2-Methyl-2-phenyl-2,3-dihydrofuran-5(4H)-one
AKOS001682354AKOS0220787825-methyl-5-phenyldihydro-2(3H)-furanone5-Methyl-5-phenyl-dihydro-2(3H)-furanone5-Phenyl-5-methyl-4,5-dihydro-2(3H)-furanoneValeric acid, 4-hydroxy-4-phenyl-, gamma-lactoneValeric acid, 4-hydroxy-4-phenyl-, .gamma.-lactone
Database identifiers
- CAS
21303-80-0- PubChem CID
- 88864
- DTXSID
DTXSID90943811- Nikkaji
- J276.766J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Melting point
- 102 · 102-104 °C
- Boiling point
- 145 · 145-147 °C(Press: 5 Torr)
- Density
- 1.109 · 1.109±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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