Basic information
- Standard SMILES
COc1ccc(OCC(C)C)c(C(C)=O)c1- InChIKey
MVHPDNIZRIYRSF-UHFFFAOYSA-N- Molecular formula
- C13H18O3
- Average molar mass
- 222.28 g/mol
Names & identifiers
- Preferred name
- 1-(2-Isobutoxy-5-methoxyphenyl)ethanone
- IUPAC
- 1-[5-methoxy-2-(2-methylpropoxy)phenyl]ethanone
Names & synonyms
1-(2-isobutoxy-5-methoxyphenyl)ethanoneSCHEMBL2907638A1-562232'-Hydroxy-5'-methoxyacetophenone, 2-methylpropyl ether675880-85-0
Database identifiers
- PubChem CID
- 68436205
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 225
Related reactions
2 records
Compound notes
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