Basic information
- Standard SMILES
CC(C)(c1ccccc1)c1ccc(OC(=O)c2cccnc2)cc1- InChIKey
HBKRFGSYVQCWSJ-UHFFFAOYSA-N- Molecular formula
- C21H19NO2
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.14157885
Names & identifiers
- Preferred name
- p-Cumylphenyl nicotinate
- IUPAC
- [4-(2-phenylpropan-2-yl)phenyl] pyridine-3-carboxylate
Names & synonyms
p-cumylphenyl nicotinateSCHEMBL10632092HBKRFGSYVQCWSJ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 20154093
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 406
Related reactions
4 records
Compound notes
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