1,3-Butanedione, 1-(4-methoxy-2-methylphenyl)-
Basic information
- CAS
147808-44-4- Standard SMILES
COc1ccc(C(=O)CC(C)=O)c(C)c1- InChIKey
ZDOKMONDKIHUIQ-UHFFFAOYSA-N- Molecular formula
- C12H14O3
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.0942943
Names & identifiers
- Preferred name
- 1,3-Butanedione, 1-(4-methoxy-2-methylphenyl)-
- IUPAC
- 1-(4-methoxy-2-methylphenyl)butane-1,3-dione
Names & synonyms
147808-44-41,3-Butanedione, 1-(4-methoxy-2-methylphenyl)-1-(4-methoxy-2-methylphenyl)butane-1,3-dioneDTXSID701247032
Database identifiers
- CAS
147808-44-4- PubChem CID
- 10104425
- DTXSID
DTXSID701247032
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…