1-(2-Hydroxy-4,6-dimethylphenyl)-1-butanone
Basic information
- Standard SMILES
CCCC(=O)c1c(C)cc(C)cc1O- InChIKey
MNLLQZBKKMWYBU-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
Names & identifiers
- Preferred name
- 1-(2-Hydroxy-4,6-dimethylphenyl)-1-butanone
- IUPAC
- 1-(2-hydroxy-4,6-dimethylphenyl)butan-1-one
Names & synonyms
1-(2-HYDROXY-4,6-DIMETHYLPHENYL)-1-BUTANONE2-butyryl-3,5-dimethyl-phenolSCHEMBL10751402MNLLQZBKKMWYBU-UHFFFAOYSA-NAKOS022301741
Database identifiers
- PubChem CID
- 4201006
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 200
Related reactions
13 records
Compound notes
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