Basic information
- CAS
106379-86-6- Standard SMILES
CCCCCCC(O)c1ccc(O)cc1- InChIKey
DCJRQGIFTXZHJI-UHFFFAOYSA-N- Molecular formula
- C13H20O2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.14632988
Names & identifiers
- Preferred name
- 4-(1-Hydroxyheptyl)phenol
- IUPAC
- 4-(1-hydroxyheptyl)phenol
- English name
- 4-(1-hydroxyheptyl)phenol
- Molecular formula
- C13H20O2
- Molecular weight
- 208.3
Names & synonyms
4-(1-hydroxyheptyl)phenolα-Hexyl-4-hydroxybenzenemethanolBenzenemethanol, α-hexyl-4-hydroxy-
Database identifiers
- CAS
106379-86-6- PubChem CID
- 58273347
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 81 · 81-82 °C
- Boiling point
- 341.8 · 341.8±17.0 °C(Predicted)
- Density
- 1.033 · 1.033±0.06 g/cm3(Predicted)
- pka
- 10.06 · 10.06±0.26(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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