≥97% 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 | CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C(=O)C3C(C4C(O3)OC(O4)(C)C)O)Cl |
|---|---|
| IUPAC Name | [(3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]methanone |
| InChIKey | TUBVOYXRJBKZBN-MLNNCEHLSA-N |
| INCHI | 1S/C23H25ClO6/c1-4-27-16-8-5-13(6-9-16)11-15-12-14(7-10-17(15)24)18(25)20-19(26)21-22(28-20)30-23(2,3)29-21/h5-10,12,19-22,26H,4,11H2,1-3H3/t19-,20+,21+,22+/m1/s1 |
| Isomeric SMILES | CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C(=O)[C@H]3[C@H]([C@H]4[C@@H](O3)OC(O4)(C)C)O)Cl |
| PubChem CID | 57558247 |
| Molecular Weight | 432.9 |
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 | Alkyl-phenylketones Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Ketals Aryl chlorides Monosaccharides 1,3-dioxolanes Oxolanes Secondary alcohols Oxacyclic compounds Hydrocarbon derivatives Aldehydes Organic oxides Organochlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Diphenylmethane - Alkyl-phenylketone - Phenylketone - Phenoxy compound - Phenol ether - Aryl ketone - Aryl alkyl ketone - Benzoyl - Chlorobenzene - Halobenzene - Ketal - Alkyl aryl ether - Monosaccharide - Aryl halide - Aryl chloride - Oxolane - Meta-dioxolane - Ketone - Secondary alcohol - Acetal - Oxacycle - Organoheterocyclic compound - Ether - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organochloride - Aldehyde - Organohalogen compound - Aromatic heteropolycyclic 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 | 432.900 g/mol |
|---|---|
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 432.134 Da |
| Monoisotopic Mass | 432.134 Da |
| Topological Polar Surface Area | 74.200 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 605.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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 |
![(4-Chloro-3-(4-ethoxybenzyl)phenyl)((3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methanone - ≥97% , CAS No.1103738-30-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)