Methyl 2-(benzyloxy)-3-(2-oxopropyl)benzoate
Basic information
- CAS
88580-04-5- Standard SMILES
COC(=O)c1cccc(CC(C)=O)c1OCc1ccccc1- InChIKey
PELVPDUWRYEICM-UHFFFAOYSA-N- Molecular formula
- C18H18O4
- Average molar mass
- 298.3 g/mol
- Monoisotopic mass
- 298.12050905
Names & identifiers
- Preferred name
- Methyl 2-(benzyloxy)-3-(2-oxopropyl)benzoate
- IUPAC
- methyl 3-(2-oxopropyl)-2-phenylmethoxybenzoate
Names & synonyms
88580-04-5Methyl 2-(benzyloxy)-3-(2-oxopropyl)benzoateDTXSID60532231
Database identifiers
- CAS
88580-04-5- PubChem CID
- 13255232
- DTXSID
DTXSID60532231
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…