4-Ethoxy-1-phenylpentan-2-one
Basic information
- CAS
654643-22-8- Standard SMILES
CCOC(C)CC(=O)Cc1ccccc1- InChIKey
PYAPDVMESQDDEM-UHFFFAOYSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.13067981
Names & identifiers
- Preferred name
- 4-Ethoxy-1-phenylpentan-2-one
- IUPAC
- 4-ethoxy-1-phenylpentan-2-one
Names & synonyms
4-ETHOXY-1-PHENYLPENTAN-2-ONE654643-22-8DTXSID20798619
Database identifiers
- CAS
654643-22-8- PubChem CID
- 71375889
- DTXSID
DTXSID20798619
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 183
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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