Basic information
- CAS
39489-43-5- Standard SMILES
COc1ccc(OCC(=O)C(C)(C)C)cc1- InChIKey
GUKJNWZZYFEWDH-UHFFFAOYSA-N- Molecular formula
- C13H18O3
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.12559443
Names & identifiers
- Preferred name
- 1-(4-Methoxyphenoxy)-3,3-dimethylbutan-2-one
- IUPAC
- 1-(4-methoxyphenoxy)-3,3-dimethylbutan-2-one
Names & synonyms
1-(4-methoxyphenoxy)-3,3-dimethylbutan-2-one39489-43-5NSC86605NCIOpen2_004958SCHEMBL12622681DTXSID30292971NSC-86605AKOS008909216
Database identifiers
- CAS
39489-43-5- PubChem CID
- 257973
- DTXSID
DTXSID30292971
Properties
Computed structural properties
- XLogP
- 3
- 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
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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