Basic information
- Standard SMILES
COc1c(OC(C)C)cc(B(O)O)cc1OC(C)C- InChIKey
KRCPDCQAVCBTEE-UHFFFAOYSA-N- Molecular formula
- C13H21BO5
- Average molar mass
- 268.12 g/mol
Names & identifiers
- Preferred name
- 3,5-Diisopropoxy-4-methoxyphenylboronic acid
- IUPAC
- [4-methoxy-3,5-di(propan-2-yloxy)phenyl]boronic acid
Names & synonyms
SCHEMBL5623277KRCPDCQAVCBTEE-UHFFFAOYSA-N3,5-diisopropoxy-4-methoxyphenylboronic acid482627-90-7
Database identifiers
- PubChem CID
- 20634992
Properties
Computed structural properties
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 239
Related reactions
1 records
Compound notes
Loading…