1-(2-Methoxy-5-methylphenyl)butan-1-one
Basic information
- CAS
5340-05-6- Standard SMILES
CCCC(=O)c1cc(C)ccc1OC- InChIKey
NHNNRGOVWALZLQ-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- 1-(2-Methoxy-5-methylphenyl)butan-1-one
- IUPAC
- 1-(2-methoxy-5-methylphenyl)butan-1-one
Names & synonyms
1-(2-methoxy-5-methylphenyl)butan-1-one5340-05-62'-METHOXY-5'-METHYLBUTYROPHENONENSC856DTXSID10277100NSC-856MFCD116174871-(2-methoxy-5-methyl-phenyl)butan-1-oneF399625
Database identifiers
- CAS
5340-05-6- PubChem CID
- 219477
- DTXSID
DTXSID10277100
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 189
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Compound notes
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