Basic information
- Standard SMILES
Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C)c1OC(=O)c1oc2ccccc2c1C- InChIKey
LFVAZSWMMJYUAL-UHFFFAOYSA-N- Molecular formula
- C24H27BO5
- Average molar mass
- 406.3 g/mol
Names & identifiers
- Preferred name
- 3-Methyl-benzofuran-2-carboxylic acid 2,6-dimethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl ester
- IUPAC
- [2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] 3-methyl-1-benzofuran-2-carboxylate
Names & synonyms
SCHEMBL3611144LFVAZSWMMJYUAL-UHFFFAOYSA-N3-methyl-benzofuran-2-carboxylic acid 2,6-dimethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl ester
Database identifiers
- PubChem CID
- 68713072
Properties
Computed structural properties
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 622
Related reactions
2 records
Compound notes
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