Basic information
- Standard SMILES
CCc1cc(OCc2ccc(B(O)O)cc2)c2ccccc2n1- InChIKey
OJLOSBITCHROTB-UHFFFAOYSA-N- Molecular formula
- C18H18BNO3
- Average molar mass
- 307.2 g/mol
Names & identifiers
- Preferred name
- [4-[(2-Ethylquinolin-4-yl)oxymethyl]phenyl]boronic acid
- IUPAC
- [4-[(2-ethylquinolin-4-yl)oxymethyl]phenyl]boronic acid
Names & synonyms
SCHEMBL9458643143805-81-6
Database identifiers
- PubChem CID
- 9904643
Properties
Computed structural properties
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 360
Related reactions
2 records
Compound notes
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