Basic information
- Standard SMILES
CCCCCCCCc1ccc(NC(CO)CO)cc1- InChIKey
DOFLSNHYCOQRLE-UHFFFAOYSA-N- Molecular formula
- C17H29NO2
- Average molar mass
- 279.4 g/mol
Names & identifiers
- Preferred name
- 2-(4-Octylphenylamino)propane-1,3-diol
- IUPAC
- 2-(4-octylanilino)propane-1,3-diol
Names & synonyms
SCHEMBL177138DOFLSNHYCOQRLE-UHFFFAOYSA-N2-(4-octylphenylamino)propane-1,3-diol
Database identifiers
- PubChem CID
- 46199203
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 211
Related reactions
2 records
Compound notes
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