1-Phenyl-1-(3-quinolyl)ethanol
Basic information
- CAS
1183075-72-0- Standard SMILES
CC(O)(c1ccccc1)c1cnc2ccccc2c1- InChIKey
ANAUVAMLLNNVLV-UHFFFAOYSA-N- Molecular formula
- C17H15NO
- Average molar mass
- 249.31 g/mol
Names & identifiers
- Preferred name
- 1-Phenyl-1-(3-quinolyl)ethanol
- IUPAC
- 1-phenyl-1-quinolin-3-ylethanol
- English name
- 1-Phenyl-1-(3-quinolyl)ethanol
- Molecular formula
- C17H15NO
- Molecular weight
- 249.3071
Names & synonyms
1-Phenyl-1-(3-quinolyl)ethanol1183075-72-0MFCD128337801-phenyl-1-(3-quinolinyl)ethanolSCHEMBL121878041-phenyl-1-quinolin-3-ylethanolAC3101AKOS005767683SB688621-Phenyl-1-(quinolin-3-yl)ethan-1-olSY020896DB-238297
Show more names
α-Methyl-α-phenyl-3-quinolinemethanol3-Quinolinemethanol, α-methyl-α-phenyl-
CS-0452837
Database identifiers
- CAS
1183075-72-0
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Boiling point
- 434.5 · 434.5±30.0 °C(Predicted)
- Density
- 1.181 · 1.181±0.06 g/cm3(Predicted)
- pka
- 12.94 · 12.94±0.29(Predicted)
- HS Code
- 2933499090 · 2933499090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933499090
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Related reactions
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Compound notes
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