Ethanol, 2-(3-methyl-1-phenyl-5-pyrazolyloxy)-
Basic information
- CAS
5372-10-1- Standard SMILES
Cc1cc(OCCO)n(-c2ccccc2)n1- InChIKey
YCHUVYWONQKJPP-UHFFFAOYSA-N- Molecular formula
- C12H14N2O2
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.10552769
Names & identifiers
- Preferred name
- Ethanol, 2-(3-methyl-1-phenyl-5-pyrazolyloxy)-
- IUPAC
- 2-(5-methyl-2-phenylpyrazol-3-yl)oxyethanol
- English name
- 2-[(3-Methyl-1-phenyl-1H-pyrazol-5-yl)oxy]ethanol
- Molecular formula
- C12H14N2O2
- Molecular weight
- 218.25
Names & synonyms
BRN 0195184P-311ETHANOL, 2-(3-METHYL-1-PHENYL-5-PYRAZOLYLOXY)-5372-10-12-(3-Methyl-1-phenyl-5-pyrazolyloxy)ethanolDTXSID702019815-(2-Hydroxyethoxy)-3-methyl-1-phenylpyrazole0-23-00-00355 (Beilstein Handbook Reference)RefChem:340841DTXCID001244722-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)oxy]ethan-1-olProtein p311
Show more names
Neuronal protein 3.1Anti-C5ORF13 antibody produced in rabbit2-[(3-Methyl-1-phenyl-1H-pyrazol-5-yl)oxy]ethanolEthanol, 2-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)oxy]-
Database identifiers
- CAS
5372-10-1- PubChem CID
- 21469
- DTXSID
DTXSID70201981- Nikkaji
- J49.843B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Melting point
- 63 · 63-64 °C
- Boiling point
- 140 · 140-145 °C(Press: 0.08 Torr)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 14.22 · 14.22±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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