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Basic information
- Standard SMILES
CCn1cc(CC(=O)OC)c2c(O)cc(F)cc21- InChIKey
RPJNYBUNHBJSCQ-UHFFFAOYSA-N- Molecular formula
- C13H14FNO3
- Average molar mass
- 251.25 g/mol
- Monoisotopic mass
- 251.09577147
Names & identifiers
- Preferred name
- methyl 2-(1-ethyl-6-fluoro-4-hydroxy-1H-indol-3-yl)acetate
- IUPAC
- methyl 2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)acetate
Names & synonyms
SCHEMBL1163342RPJNYBUNHBJSCQ-UHFFFAOYSA-Nmethyl 2-(1-ethyl-6-fluoro-4-hydroxy-1H-indol-3-yl)acetate
Database identifiers
- PubChem CID
- 66927140
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
Related reactions
1 records
Compound notes
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