Basic information
- Standard SMILES
Cc1ncc(CO)c(C)c1Oc1ccc(C#N)cc1- InChIKey
ZJOBNFYAPYGDDZ-UHFFFAOYSA-N- Molecular formula
- C15H14N2O2
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.10552769
Names & identifiers
- Preferred name
- 4-(5-Hydroxymethyl-2,4-dimethyl-pyridin-3-yloxy)-benzonitrile
- IUPAC
- 4-[[5-(hydroxymethyl)-2,4-dimethyl-3-pyridinyl]oxy]benzonitrile
Names & synonyms
SCHEMBL3442573ZJOBNFYAPYGDDZ-UHFFFAOYSA-N4-(5-hydroxymethyl-2,4-dimethyl-pyridin-3-yloxy)-benzonitrile
Database identifiers
- PubChem CID
- 68644271
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 330
Related reactions
1 records
Compound notes
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