3',4'-Dimethyl-3-(2,5-dimethylphenyl)propiophenone
Basic information
- CAS
898753-60-1- Standard SMILES
Cc1ccc(C)c(CCC(=O)c2ccc(C)c(C)c2)c1- InChIKey
BTSCZQMCCBGLHK-UHFFFAOYSA-N- Molecular formula
- C19H22O
- Average molar mass
- 266.4 g/mol
- Monoisotopic mass
- 266.16706532
Names & identifiers
- Preferred name
- 3',4'-Dimethyl-3-(2,5-dimethylphenyl)propiophenone
- IUPAC
- 3-(2,5-dimethylphenyl)-1-(3,4-dimethylphenyl)propan-1-one
- English name
- 3',4'-Dimethyl-3-(2,5-dimethylphenyl)propiophenone
- Molecular formula
- C19H22O
- Molecular weight
- 266.38
Names & synonyms
898753-60-13',4'-DIMETHYL-3-(2,5-DIMETHYLPHENYL)PROPIOPHENONE3-(2,5-dimethylphenyl)-1-(3,4-dimethylphenyl)propan-1-oneMFCD03843736DTXSID00644741AKOS0160216483,4-Dimethyl-3-(2,5-dimethylphenyl)propiophenoneF2064901-Propanone, 3-(2,5-dimethylphenyl)-1-(3,4-dimethylphenyl)-
Database identifiers
- CAS
898753-60-1- PubChem CID
- 24726348
- DTXSID
DTXSID00644741
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Boiling point
- 421 · 421.0±24.0 °C(Predicted)
- Density
- 1.011 · 1.011±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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