Completing data — usually done within a minute
Basic information
- CAS
1467060-53-2- Standard SMILES
O=Cc1c[nH]c2cc(F)c(-c3ccc(OCCCO)cc3)c(F)c12- InChIKey
UEWSEPZHJZVBMM-UHFFFAOYSA-N- Molecular formula
- C18H15F2NO3
- Average molar mass
- 331.3 g/mol
- Monoisotopic mass
- 331.10199966
Names & identifiers
- Preferred name
- 4,6-difluoro-5-[4-(3-hydroxypropoxy)phenyl]-1H-indole-3-carbaldehyde
- IUPAC
- 4,6-difluoro-5-[4-(3-hydroxypropoxy)phenyl]-1H-indole-3-carbaldehyde
Names & synonyms
4,6-difluoro-5-[4-(3-hydroxypropoxy)phenyl]-1H-indole-3-carbaldehydeSCHEMBL15300835UEWSEPZHJZVBMM-UHFFFAOYSA-NDTXSID7011538134,6-Difluoro-5-[4-(3-hydroxypropoxy)phenyl]-1H-indole-3-carboxaldehyde4,6-difluoro-5-[4-(3-hydroxypropoxyl)phenyl]-1H-indole-3-carbaldehyde1467060-53-2
Database identifiers
- CAS
1467060-53-2- PubChem CID
- 86698643
- DTXSID
DTXSID701153813
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 417
Related reactions
4 records
Compound notes
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