2-(4-Butoxy-2-hydroxyphenyl)-5-hexylpyrimidine
Basic information
- CAS
158610-48-1- Standard SMILES
CCCCCCc1cnc(-c2ccc(OCCCC)cc2O)nc1- InChIKey
TYFDWBGHEFVETN-UHFFFAOYSA-N- Molecular formula
- C20H28N2O2
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.21507814
Names & identifiers
- Preferred name
- 2-(4-Butoxy-2-hydroxyphenyl)-5-hexylpyrimidine
- IUPAC
- 5-butoxy-2-(5-hexylpyrimidin-2-yl)phenol
- English name
- 2-(4-Butoxy-2-hydroxyphenyl)-5-hexylpyrimidine
- Molecular formula
- C20H28N2O2
- Molecular weight
- 328.45
Names & synonyms
158610-48-12-(4-Butoxy-2-hydroxyphenyl)-5-hexylpyrimidine5-BUTOXY-2-(5-HEXYLPYRIMIDIN-2-YL)PHENOLDTXSID10698255TYFDWBGHEFVETN-UHFFFAOYSA-N5-Butoxy-2-(5-hexyl-2-pyrimidinyl)phenol #5-hexyl-2-(o-hydroxy-p-butyloxyphenyl)pyrimidine3-Butoxy-6-(5-hexylpyrimidin-2(1H)-ylidene)cyclohexa-2,4-dien-1-onePhenol, 5-butoxy-2-(5-hexyl-2-pyrimidinyl)-
Database identifiers
- CAS
158610-48-1- PubChem CID
- 630045
- DTXSID
DTXSID10698255
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 55.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Boiling point
- 416.9 · 416.9±45.0 °C(Predicted)
- Density
- 1.052 · 1.052±0.06 g/cm3(Predicted)
- pka
- 8.23 · 8.23±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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