Basic information
- Standard SMILES
O=C(O)Cc1cc(OCc2ccc(F)cc2)cc(OCc2ccc(F)cc2)c1- InChIKey
KYIBPUIHLPXVBQ-UHFFFAOYSA-N- Molecular formula
- C22H18F2O4
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.11731538
Names & identifiers
- Preferred name
- 2-{3,5-Bis[(4-fluorobenzyl)oxy]phenyl}acetic acid
- IUPAC
- 2-[3,5-bis[(4-fluorophenyl)methoxy]phenyl]acetic acid
Names & synonyms
SCHEMBL5088911KYIBPUIHLPXVBQ-UHFFFAOYSA-N2-{3,5-Bis[(4-fluorobenzyl)oxy]phenyl}acetic acid
Database identifiers
- PubChem CID
- 69306629
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 439
Related reactions
2 records
Compound notes
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