Basic information
- CAS
84946-15-6- Standard SMILES
O=CCCOc1ccc(F)cc1- InChIKey
JUKZPSFOMPCDJN-UHFFFAOYSA-N- Molecular formula
- C9H9FO2
- Average molar mass
- 168.16 g/mol
- Monoisotopic mass
- 168.05865769
Names & identifiers
- Preferred name
- 3-(4-Fluorophenoxy)propionaldehyde
- IUPAC
- 3-(4-fluorophenoxy)propanal
- English name
- 3-(4-fluorophenoxy)propionaldehyde
- Molecular formula
- C9H9FO2
- Molecular weight
- 168.1649632
Names & synonyms
3-(4-fluorophenoxy)propanal3-(4-Fluorophenoxy)propionaldehydeEINECS 284-618-8FV6JT9B4N3DTXSID50233987PROPANAL, 3-(4-FLUOROPHENOXY)-RefChem:92433DTXCID8015647884946-15-6UNII-FV6JT9B4N3SCHEMBL2562145SCHEMBL5258570
Show more names
JUKZPSFOMPCDJN-UHFFFAOYSA-NAKOS012339875NS00060885EN300-7805348
Database identifiers
- CAS
84946-15-6- PubChem CID
- 3020239
- DTXSID
DTXSID50233987- UNII
- FV6JT9B4N3
- EC Number
- 284-618-8
- Nikkaji
- J333.632H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- FDA UNII
- 6 JT9B4N3 · FV6JT9B4N3
Chemistry & industry
Pharmacology
Metabolism/Metabolites3-(4-fluorophenoxy)propanal is a known human metabolite of cisapride.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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