Ethyl 3-oxo-4-(4-phenylphenyl)butanoate
Basic information
- CAS
894802-87-0- Standard SMILES
CCOC(=O)CC(=O)Cc1ccc(-c2ccccc2)cc1- InChIKey
GGIMNBMLSJUGCZ-UHFFFAOYSA-N- Molecular formula
- C18H18O3
- Average molar mass
- 282.3 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-oxo-4-(4-phenylphenyl)butanoate
- IUPAC
- ethyl 3-oxo-4-(4-phenylphenyl)butanoate
- English name
- beta-Oxo-1,1'-biphenyl-4-butanoic acid ethyl ester
- Molecular formula
- C18H18O3
- Molecular weight
- 282.33
Names & synonyms
SCHEMBL6187830ethyl 4-([1,1'-biphenyl]-4-yl)-3-oxobutanoatebeta-Oxo-1,1'-biphenyl-4-butanoic acid ethyl ester[1,1'-Biphenyl]-4-butanoic acid, β-oxo-, ethyl ester
Database identifiers
- CAS
894802-87-0
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Boiling point
- 410.4 · 410.4±33.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 10.32 · 10.32±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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