Basic information
- Standard SMILES
CCOC(=O)c1cc(C(=O)OCc2ccccc2)ccc1F- InChIKey
GOFXRPOPCMFIDH-UHFFFAOYSA-N- Molecular formula
- C17H15FO4
- Average molar mass
- 302.3 g/mol
Names & identifiers
- Preferred name
- 1-Benzyl 3-ethyl 4-fluoroisophthalate
- IUPAC
- 1-O-benzyl 3-O-ethyl 4-fluorobenzene-1,3-dicarboxylate
Names & synonyms
SCHEMBL14059294GOFXRPOPCMFIDH-UHFFFAOYSA-N1-Benzyl 3-ethyl 4-fluoroisophthalate
Database identifiers
- PubChem CID
- 71060993
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 379
Related reactions
4 records
Compound notes
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