Isopropyl 4-ethoxybenzoate
Basic information
- Standard SMILES
CCOc1ccc(C(=O)OC(C)C)cc1- InChIKey
UMONDPXKVSKCON-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- Isopropyl 4-ethoxybenzoate
- IUPAC
- propan-2-yl 4-ethoxybenzoate
Names & synonyms
Isopropyl 4-ethoxybenzoateNSC405378500787-91-7SCHEMBL948173AKOS008948321NSC-405378
Database identifiers
- PubChem CID
- 346973
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 193
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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