Basic information
- Standard SMILES
COC(=O)c1cc(Oc2ccc(F)cc2)cc(C(=O)OC)c1- InChIKey
ZVOAOJDIYYTFEQ-UHFFFAOYSA-N- Molecular formula
- C16H13FO5
- Average molar mass
- 304.27 g/mol
Names & identifiers
- Preferred name
- Dimethyl 5-(4-fluorophenoxy)isophthalate
- IUPAC
- dimethyl 5-(4-fluorophenoxy)benzene-1,3-dicarboxylate
Names & synonyms
SCHEMBL184785ZVOAOJDIYYTFEQ-UHFFFAOYSA-NDimethyl 5-(4-fluorophenoxy)isophthalate
Database identifiers
- PubChem CID
- 66616627
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 368
Related reactions
3 records
Compound notes
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