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Basic information
- Standard SMILES
O=C(OCCc1ccc(Cc2ccncc2O)cc1)c1ccccc1- InChIKey
YMXGDDVDAMVWTF-UHFFFAOYSA-N- Molecular formula
- C21H19NO3
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.13649347
Names & identifiers
- Preferred name
- 4-[4-(2-Benzoyloxyethyl)benzyl]-3-hydroxypyridine
- IUPAC
- 2-[4-[(3-hydroxy-4-pyridinyl)methyl]phenyl]ethyl benzoate
Names & synonyms
SCHEMBL4859826YMXGDDVDAMVWTF-UHFFFAOYSA-N4-[4-(2-benzoyloxyethyl)benzyl]-3-hydroxypyridine
Database identifiers
- PubChem CID
- 69220191
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 400
Related reactions
1 records
Compound notes
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