Basic information
- Standard SMILES
CC(C)(C)c1c(O)ccc2c1CC(CO)O2- InChIKey
BLZDMWJMFUYOLV-UHFFFAOYSA-N- Molecular formula
- C13H18O3
- Average molar mass
- 222.28 g/mol
Names & identifiers
- Preferred name
- 4-Tert-butyl-5-hydroxy-2-hydroxymethyl-2,3-dihydrobenzofuran
- IUPAC
- 4-tert-butyl-2-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-ol
Names & synonyms
SCHEMBL8368652BLZDMWJMFUYOLV-UHFFFAOYSA-N4-tert-butyl-5-hydroxy-2-hydroxymethyl-2,3-dihydrobenzofuran
Database identifiers
- PubChem CID
- 22918657
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Related reactions
7 records
Compound notes
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