Basic information
- Standard SMILES
CC(C)(CO)c1ccc(-c2c(F)cc3[nH]cc(C=O)c3c2F)cc1- InChIKey
UAAKWGONKHQRNA-UHFFFAOYSA-N- Molecular formula
- C19H17F2NO2
- Average molar mass
- 329.3 g/mol
- Monoisotopic mass
- 329.12273511
Names & identifiers
- Preferred name
- 4,6-difluoro-5-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1H-indole-3-carbaldehyde
- IUPAC
- 4,6-difluoro-5-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1H-indole-3-carbaldehyde
Names & synonyms
SCHEMBL15300650UAAKWGONKHQRNA-UHFFFAOYSA-N4,6-difluoro-5-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1H-indole-3-carbaldehyde
Database identifiers
- PubChem CID
- 86698640
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 451
Related reactions
4 records
Compound notes
Loading…