Basic information
- Standard SMILES
CCCc1c(OCCCCC#N)ccc(C(=O)c2ccccc2O)c1O- InChIKey
DVLFSYXHPJQAHP-UHFFFAOYSA-N- Molecular formula
- C21H23NO4
- Average molar mass
- 353.4 g/mol
Names & identifiers
- Preferred name
- 5-[3-Hydroxy-4-(2-hydroxybenzoyl)-2-propylphenoxy]pentanenitrile
- IUPAC
- 5-[3-hydroxy-4-(2-hydroxybenzoyl)-2-propylphenoxy]pentanenitrile
Names & synonyms
SCHEMBL10558342DVLFSYXHPJQAHP-UHFFFAOYSA-N5-[3-hydroxy-4-(2 -hydroxybenzoyl)-2-propylphenoxy]pentanenitrile5-[3-Hydroxy-4-(2-hydroxybenzoyl)-2-propylphenoxy]pentanenitrile
Database identifiers
- PubChem CID
- 14421663
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 486
Related reactions
5 records
Compound notes
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