1-(3,4-Dimethoxyphenyl)-2-methylbutan-1-one

HCID 49092

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Basic information

CAS: 67049-70-1
Standard SMILES: CCC(C)C(=O)c1ccc(OC)c(OC)c1
InChIKey: UFWKGXSNLSLTRI-UHFFFAOYSA-N
Molecular formula: C13H18O3
Average molar mass: 222.28 g/mol
Monoisotopic mass: 222.12559443

Names & identifiers

Preferred name: 1-(3,4-Dimethoxyphenyl)-2-methylbutan-1-one
IUPAC: 1-(3,4-dimethoxyphenyl)-2-methylbutan-1-one
English name: 34DIMETHOXY2METHYLBUTYROPHENONE
Molecular formula: C13H18O3
Molecular weight: 222.28

Names & synonyms

1-(3,4-dimethoxyphenyl)-2-methylbutan-1-one67049-70-1DTXSID40986011RefChem:1054099DTXCID4014132003',4'-Dimethoxy-2-methylbutyrophenoneBRN 2584772BUTYROPHENONE, 3',4'-DIMETHOXY-2-METHYL-SCHEMBL220600493',4'-Dimethoxy-α-methylbutyrophenone1-(3,4-Dimethoxyphenyl)-2-methyl-1-butanone1-Butanone, 1-(3,4-dimethoxyphenyl)-2-methyl-

Database identifiers

CAS: 67049-70-1
PubChem CID: 49092
DTXSID: DTXSID40986011
Nikkaji: J67.454K

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 227

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