3-(3,4-Dimethylphenyl)-1-(4-methoxyphenyl)-2-propen-1-one
Completing data — refresh the page later to see the latest
Basic information
- CAS
344889-87-8- Standard SMILES
COc1ccc(C(=O)/C=C/c2ccc(C)c(C)c2)cc1- InChIKey
NQIMVNNXKKVSLA-IZZDOVSWSA-N- Molecular formula
- C18H18O2
- Average molar mass
- 266.3 g/mol
- Monoisotopic mass
- 266.13067981
Names & identifiers
- Preferred name
- 3-(3,4-Dimethylphenyl)-1-(4-methoxyphenyl)-2-propen-1-one
- IUPAC
- (E)-3-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
- English name
- 3-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-2-propen-1-one
- Molecular formula
- C18H18O2
- Molecular weight
- 266.33
Names & synonyms
344889-87-83-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-2-propen-1-one(2E)-3-(3,4-Dimethylphenyl)-1-(4-methoxyphenyl)-2-propen-1-oneSCHEMBL15304468AR-685/43384539(E)-3-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one2-Propen-1-one, 3-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-, (2E)-
Database identifiers
- CAS
344889-87-8- PubChem CID
- 13288816
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Boiling point
- 428.7 · 428.7±45.0 °C(Predicted)
- Density
- 1.08 · 1.080±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…