Basic information
- Standard SMILES
CCCOC(=O)C(C)Oc1ccc(O)cc1- InChIKey
FWFILPPOCSVQQJ-UHFFFAOYSA-N- Molecular formula
- C12H16O4
- Average molar mass
- 224.25 g/mol
- Monoisotopic mass
- 224.10485899
Names & identifiers
- Preferred name
- n-Propyl 2-(4-hydroxyphenoxy)propionate
- IUPAC
- propyl 2-(4-hydroxyphenoxy)propanoate
Names & synonyms
SCHEMBL10387518FWFILPPOCSVQQJ-UHFFFAOYSA-Nn-propyl 2-(4-hydroxyphenoxy)propionate
Database identifiers
- PubChem CID
- 12919927
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 209
Related reactions
2 records
Compound notes
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