| Canonical Smiles | C1=CC=C(C=C1)C(CS(=O)(=O)C2=CC=CC=C2)(C3=CC=CC=C3)O |
|---|---|
| IUPAC Name | 2-(benzenesulfonyl)-1,1-diphenylethanol |
| InChIKey | NRGKRBPWASORQY-UHFFFAOYSA-N |
| INCHI | 1S/C20H18O3S/c21-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)16-24(22,23)19-14-8-3-9-15-19/h1-15,21H,16H2 |
| Isomeric SMILES | C1=CC=C(C=C1)C(CS(=O)(=O)C2=CC=CC=C2)(C3=CC=CC=C3)O |
| PubChem CID | 2767173 |
| Molecular Weight | 338.42 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Diphenylmethanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylmethanes |
| Alternative Parents | Benzenesulfonyl compounds Tertiary alcohols Sulfones Organic oxides Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diphenylmethane - Benzenesulfonyl group - Tertiary alcohol - Sulfonyl - Sulfone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organosulfur compound - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. |
| External Descriptors | Not available |
| Molecular Weight | 338.400 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 338.098 Da |
| Monoisotopic Mass | 338.098 Da |
| Topological Polar Surface Area | 62.800 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 458.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
