2-[(4-Chlorophenyl)sulfinyl]-1,1-diphenyl-1-ethanol
Basic information
- CAS
251307-41-2- Standard SMILES
O=S(CC(O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1- InChIKey
OBLYXXRZYGHQDU-UHFFFAOYSA-N- Molecular formula
- C20H17ClO2S
- Average molar mass
- 356.9 g/mol
Names & identifiers
- Preferred name
- 2-[(4-Chlorophenyl)sulfinyl]-1,1-diphenyl-1-ethanol
- IUPAC
- 2-(4-chlorophenyl)sulfinyl-1,1-diphenylethanol
- English name
- 2-[(4-Chlorophenyl)sulfinyl]-1,1-diphenyl-1-ethanol
- Molecular formula
- C20H17ClO2S
- Molecular weight
- 356.86
Names & synonyms
251307-41-22-[(4-chlorophenyl)sulfinyl]-1,1-diphenyl-1-ethanol2-(4-chlorophenyl)sulfinyl-1,1-diphenylethanol2-(4-chlorobenzenesulfinyl)-1,1-diphenylethan-1-olBionet1_001179Oprea1_638434HMS571G21AKOS00507466710H-323S2-((4-Chlorophenyl)sulfinyl)-1,1-diphenylethan-1-olBenzenemethanol, α-[[(4-chlorophenyl)sulfinyl]methyl]-α-phenyl-
Database identifiers
- CAS
251307-41-2
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Boiling point
- 576.6 · 576.6±50.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 12.11 · 12.11±0.29(Predicted)
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Related reactions
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Compound notes
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