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Basic information
- Standard SMILES
Cc1ccccc1C1CCCC(=O)O1- InChIKey
VIRZXYHGTWZIIU-UHFFFAOYSA-N- Molecular formula
- C12H14O2
- Average molar mass
- 190.24 g/mol
Names & identifiers
- Preferred name
- 6-(2-Methylphenyl)-tetrahydropyran-2-one
- IUPAC
- 6-(2-methylphenyl)oxan-2-one
Names & synonyms
SCHEMBL7908621VIRZXYHGTWZIIU-UHFFFAOYSA-N6-(2-methylphenyl)-tetrahydropyran-2-one
Database identifiers
- PubChem CID
- 22010260
- Nikkaji
- J1.947.222A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Related reactions
2 records
Compound notes
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