Basic information
- Standard SMILES
CCS(=O)(=O)c1ccc(Oc2c(C)c(C=O)cc3ccc(F)cc23)cc1- InChIKey
RSDJTXYBWYJVHL-UHFFFAOYSA-N- Molecular formula
- C20H17FO4S
- Average molar mass
- 372.4 g/mol
Names & identifiers
- Preferred name
- 4-(4-Ethanesulfonyl-phenoxy)-6-fluoro-3-methyl-naphthalene-2-carbaldehyde
- IUPAC
- 4-(4-ethylsulfonylphenoxy)-6-fluoro-3-methylnaphthalene-2-carbaldehyde
Names & synonyms
SCHEMBL2173256RSDJTXYBWYJVHL-UHFFFAOYSA-N4-(4-ethanesulfonyl-phenoxy)-6-fluoro-3-methyl-naphthalene-2-carbaldehyde
Database identifiers
- PubChem CID
- 59326523
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 579
Related reactions
1 records
Compound notes
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