2-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol
Basic information
- CAS
394237-57-1- Standard SMILES
COc1ccc(-c2n[nH]c(C)c2-c2ccc(F)cc2)c(O)c1- InChIKey
QDXRHGKAGJWXAX-UHFFFAOYSA-N- Molecular formula
- C17H15FN2O2
- Average molar mass
- 298.31 g/mol
- Monoisotopic mass
- 298.11175589
Names & identifiers
- Preferred name
- 2-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol
- IUPAC
- 2-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol
- English name
- 2-(4-(4-Fluorophenyl)-5-methyl-1H-pyrazol-3-yl)-5-methoxyphenol
- Molecular formula
- C17H15FN2O2
- Molecular weight
- 298.31
Names & synonyms
2-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol2-(4-(4-FLUOROPHENYL)-5-METHYL-1H-PYRAZOL-3-YL)-5-METHOXYPHENOLOprea1_173260Oprea1_660376DTXSID401175450AKOS001631687CCG-107426394237-57-1SR-01000443955SR-01000443955-1Phenol, 2-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxy-
Database identifiers
- CAS
394237-57-1- PubChem CID
- 4414545
- DTXSID
DTXSID401175450
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Boiling point
- 447.083 · 447.083±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.272 · 1.272±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.335 · 8.335±0.35(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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