4'-Methoxy-3-(2-methylphenyl)propiophenone
Basic information
- CAS
898789-19-0- Standard SMILES
COc1ccc(C(=O)CCc2ccccc2C)cc1- InChIKey
GRMSIAOXMCYUIV-UHFFFAOYSA-N- Molecular formula
- C17H18O2
- Average molar mass
- 254.32 g/mol
- Monoisotopic mass
- 254.13067981
Names & identifiers
- Preferred name
- 4'-Methoxy-3-(2-methylphenyl)propiophenone
- IUPAC
- 1-(4-methoxyphenyl)-3-(2-methylphenyl)propan-1-one
- English name
- 4'-METHOXY-3-(2-METHYLPHENYL)PROPIOPHENONE
- Molecular formula
- C17H18O2
- Molecular weight
- 254.32
Names & synonyms
4'-METHOXY-3-(2-METHYLPHENYL)PROPIOPHENONE898789-19-01-(4-methoxyphenyl)-3-(2-methylphenyl)propan-1-oneMFCD03842967SCHEMBL28928572DTXSID80644007AKOS0160210094-Methoxy-3-(2-methylphenyl)propiophenone1-(4-methoxyphenyl)-3-(o-tolyl)propan-1-oneF2056231-Propanone, 1-(4-methoxyphenyl)-3-(2-methylphenyl)-
Database identifiers
- CAS
898789-19-0- PubChem CID
- 24725614
- DTXSID
DTXSID80644007
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Boiling point
- 408.2 · 408.2±33.0 °C(Predicted)
- Density
- 1.066 · 1.066±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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