3-Methoxybutyl phenoxyacetate
Basic information
- CAS
5448-33-9- Standard SMILES
COC(C)CCOC(=O)COc1ccccc1- InChIKey
OBVOEOZGGDNWNO-UHFFFAOYSA-N- Molecular formula
- C13H18O4
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.12050905
Names & identifiers
- Preferred name
- 3-Methoxybutyl phenoxyacetate
- IUPAC
- 3-methoxybutyl 2-phenoxyacetate
Names & synonyms
5448-33-93-methoxybutyl phenoxyacetate3-methoxybutyl 2-phenoxyacetateNSC17921DTXSID80280681NSC 17921NSC-17921DS-014261
Database identifiers
- CAS
5448-33-9- PubChem CID
- 226934
- DTXSID
DTXSID80280681
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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