1-(3-Chlorophenyl)-1-methyl-2-phenyl-2-(2-pyridine)ethanol
Basic information
- CAS
13997-39-2- Standard SMILES
CC(O)(c1cccc(Cl)c1)C(c1ccccc1)c1ccccn1- InChIKey
SIQJKXNPTOTGHR-UHFFFAOYSA-N- Molecular formula
- C20H18ClNO
- Average molar mass
- 323.8 g/mol
- Monoisotopic mass
- 323.1076919
Overview
RN given refers to cpd without isomeric designation; structure
Names & identifiers
- Preferred name
- 1-(3-Chlorophenyl)-1-methyl-2-phenyl-2-(2-pyridine)ethanol
- IUPAC
- 2-(3-chlorophenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol
- English name
- 1-(3-chlorophenyl)-1-methyl-2-phenyl-2-(2-pyridine)ethanol
- Molecular formula
- C20H18ClNO
- Molecular weight
- 323.81602
Names & synonyms
13997-39-21-(3-Chlorophenyl)-1-methyl-2-phenyl-2-(2-pyridine)ethanolRefChem:742982-(3-chlorophenyl)-1-phenyl-1-pyridin-2-ylpropan-2-olNSC-174273NSC174272NSC 174273CHEMBL3248599DTXSID20930678NSC1742732-Pyridineethanol, .alpha.-(3-chlorophenyl)-.alpha.-methyl-.beta.-phenyl-NSC-174272
Show more names
2-Pyridineethanol, α-(3-chlorophenyl)-α-methyl-β-phenyl-
DS-0044562-Pyridineethanol, a-(3-chlorophenyl)-a-methyl-b-phenyl-2-(3-CHLOROPHENYL)-1-PHENYL-1-(PYRIDIN-2-YL)PROPAN-2-OL2-Pyridineethanol, alpha-(3-chlorophenyl)-alpha-methyl-beta-phenyl-
Database identifiers
- CAS
13997-39-2- PubChem CID
- 31034
- DTXSID
DTXSID20930678- ChEMBL
CHEMBL3248599
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Melting point
- 134 · 134-136 °C
- Boiling point
- 422.4 · 422.4±40.0 °C(Predicted)
- Density
- 1.213 · 1.213±0.06 g/cm3(Predicted)
- pka
- 13.26 · 13.26±0.29(Predicted)
- FDA UNII
- 37 CH69Z · CJM37CH69Z
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Related reactions
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Compound notes
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