Basic information
- CAS
42291-92-9- Standard SMILES
COc1cccc(C=CC(=O)C(C)(C)C)c1- InChIKey
VYVFVGZXQUUPGE-UHFFFAOYSA-N- Molecular formula
- C14H18O2
- Average molar mass
- 218.29 g/mol
- Monoisotopic mass
- 218.13067981
Names & identifiers
- Preferred name
- 1-(3-Methoxyphenyl)-4,4-dimethylpent-1-en-3-one
- IUPAC
- 1-(3-methoxyphenyl)-4,4-dimethylpent-1-en-3-one
Names & synonyms
1-(3-methoxyphenyl)-4,4-dimethylpent-1-en-3-one42291-92-9SCHEMBL5509260DTXSID20327180
Database identifiers
- CAS
42291-92-9- PubChem CID
- 367191
- DTXSID
DTXSID20327180
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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