3-(4-fluoro-phenoxy)-5-((S)-2-methoxy-1-methyl-ethoxy)-benzoic acid
Basic information
- Standard SMILES
COC[C@H](C)Oc1cc(Oc2ccc(F)cc2)cc(C(=O)O)c1- InChIKey
RFOOINQBRQUMKI-NSHDSACASA-N- Molecular formula
- C17H17FO5
- Average molar mass
- 320.31 g/mol
- Monoisotopic mass
- 320.1060018
Names & identifiers
- Preferred name
- 3-(4-fluoro-phenoxy)-5-((S)-2-methoxy-1-methyl-ethoxy)-benzoic acid
- IUPAC
- 3-(4-fluorophenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoic acid
Names & synonyms
SCHEMBL1261335RFOOINQBRQUMKI-NSHDSACASA-N3-(4-fluoro-phenoxy)-5-((S)-2-methoxy-1-methyl-ethoxy)-benzoic acid3-{(1S)-2-methoxy-(methylethyl)oxy}-5-{[4-fluoro phenyl]oxy}benzoic acid
Database identifiers
- PubChem CID
- 66969372
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 370
Related reactions
3 records
Compound notes
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