≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=CC=C(C=C1)S(=O)(=O)OCCC(C2=CC=CC=C2)C3=C(C=CC(=C3)C)OC |
|---|---|
| IUPAC Name | [3-(2-methoxy-5-methylphenyl)-3-phenylpropyl] 4-methylbenzenesulfonate |
| InChIKey | XFMJXASCGLTHSN-UHFFFAOYSA-N |
| INCHI | 1S/C24H26O4S/c1-18-9-12-21(13-10-18)29(25,26)28-16-15-22(20-7-5-4-6-8-20)23-17-19(2)11-14-24(23)27-3/h4-14,17,22H,15-16H2,1-3H3 |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCC(C2=CC=CC=C2)C3=C(C=CC(=C3)C)OC |
| PubChem CID | 11165777 |
| Molecular Weight | 410.54 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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 | p-Methylbenzenesulfonates Benzenesulfonate esters Tosyl compounds Benzenesulfonyl compounds Arylsulfonic acids and derivatives Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Organosulfonic acid esters Sulfonyls Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diphenylmethane - Benzenesulfonate ester - P-methylbenzenesulfonate - Benzenesulfonate - Tosyl compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Anisole - Phenol ether - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Toluene - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - 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 | 410.500 g/mol |
|---|---|
| XLogP3 | 5.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 410.155 Da |
| Monoisotopic Mass | 410.155 Da |
| Topological Polar Surface Area | 61.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 570.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
