2-Ethoxy-4,7-dimethyl-2,3-dihydrobenzofuran-5-ol
Basic information
- CAS
176910-22-8- Standard SMILES
CCOC1Cc2c(C)c(O)cc(C)c2O1- InChIKey
XHVZEBQSQFLHEG-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- 2-Ethoxy-4,7-dimethyl-2,3-dihydrobenzofuran-5-ol
- IUPAC
- 2-ethoxy-4,7-dimethyl-2,3-dihydro-1-benzofuran-5-ol
- English name
- 5-Benzofuranol,2-ethoxy-2,3-dihydro-4,7-dimethyl-(9CI)
- Molecular formula
- C12H16O3
- Molecular weight
- 208.25
Names & synonyms
176910-22-82-Ethoxy-4,7-dimethyl-2,3-dihydrobenzofuran-5-ol2-ethoxy-4,7-dimethyl-2,3-dihydro-1-benzofuran-5-ol5-benzo[b]furanol,2-ethoxy-2,3-dihydro-4,7-dimethyl-5-Benzofuranol,2-ethoxy-2,3-dihydro-4,7-dimethyl-(9CI)5-Benzofuranol, 2-ethoxy-2,3-dihydro-4,7-dimethyl-
Database identifiers
- CAS
176910-22-8- PubChem CID
- 15194341
- Nikkaji
- J709.137K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Boiling point
- 341.3 · 341.3±42.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 10.89 · 10.89±0.40(Predicted)
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