Ethyl 2-benzyl-3-oxo-3-phenylpropanoate
Basic information
- CAS
56409-75-7- Standard SMILES
CCOC(=O)C(Cc1ccccc1)C(=O)c1ccccc1- InChIKey
KSTSKHKQRFGSJH-UHFFFAOYSA-N- Molecular formula
- C18H18O3
- Average molar mass
- 282.3 g/mol
- Monoisotopic mass
- 282.12559443
Names & identifiers
- Preferred name
- Ethyl 2-benzyl-3-oxo-3-phenylpropanoate
- IUPAC
- ethyl 2-benzyl-3-oxo-3-phenylpropanoate
- English name
- ethyl 2-benzylbenzoylacetate
- Molecular formula
- C18H18O3
- Molecular weight
- 282.33
Names & synonyms
ethyl 2-benzyl-3-oxo-3-phenylpropanoateEthyl 2-benzylbenzoylacetate56409-75-7Ethyl beta-oxo-alpha-(phenylmethyl)benzenepropanoateNCIOpen2_006953SCHEMBL6250712DTXSID501250629benzylbenzoylacetic acid ethyl esterEINECS 260-162-5NSC101558NSC 101558NSC-101558
Show more names
α-Benzoylbenzenepropionic acid ethyl ester3-Phenyl-2-benzoylpropionic acid ethyl esterβ-Oxo-α-benzylbenzenepropionic acid ethyl ester2-Benzyl-3-phenyl-3-oxopropanoic acid ethyl ester2-Benzyl-3-oxo-3-phenylpropionic acid ethyl esterBenzenepropanoic acid, β-oxo-α-(phenylmethyl)-, ethyl ester
DB-370215NS000550672-benzyl-3-oxo-3-phenyl-propionic acid ethyl esterEthyl I(2)-oxo-I+/--(phenylmethyl)benzenepropanoate
Database identifiers
- CAS
56409-75-7- PubChem CID
- 91844
- DTXSID
DTXSID501250629- EC Number
- 260-162-5
- Nikkaji
- J296.662J
Properties
Computed structural properties
- XLogP
- 4.2
- 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
- 338
Physicochemical properties
- Boiling point
- 220 °C · 220 °C(Press: 14 Torr)
- Density
- 1.122 · 1.122±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.362 · 10.362±0.26(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…