Basic information
- Standard SMILES
CCCc1c(OCc2cccc(Oc3ccc(C#N)cn3)c2)ccc(C(C)=O)c1O- InChIKey
YUFJUJFKQLOJCG-UHFFFAOYSA-N- Molecular formula
- C24H22N2O4
- Average molar mass
- 402.4 g/mol
- Monoisotopic mass
- 402.15795719
Names & identifiers
- Preferred name
- 6-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxymethyl)-phenoxy]-nicotinonitrile
- IUPAC
- 6-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenoxy]pyridine-3-carbonitrile
Names & synonyms
SCHEMBL3164665YUFJUJFKQLOJCG-UHFFFAOYSA-N6-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxymethyl)-phenoxy]-nicotinonitrile
Database identifiers
- PubChem CID
- 68535209
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 603
Related reactions
3 records
Compound notes
Loading…