Methyl 3-(2,4-dimethoxy-5-fluorophenyl)octanoate
Basic information
- Standard SMILES
CCCCCC(CC(=O)OC)c1cc(F)c(OC)cc1OC- InChIKey
XHTPJFMUKIFVLW-UHFFFAOYSA-N- Molecular formula
- C17H25FO4
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.17368744
Names & identifiers
- Preferred name
- Methyl 3-(2,4-dimethoxy-5-fluorophenyl)octanoate
- IUPAC
- methyl 3-(5-fluoro-2,4-dimethoxyphenyl)octanoate
Names & synonyms
SCHEMBL8120001XHTPJFMUKIFVLW-UHFFFAOYSA-NMethyl 3-(2,4-dimethoxy-5-fluorophenyl)octanoate
Database identifiers
- PubChem CID
- 19348552
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 324
Related reactions
2 records
Compound notes
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