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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 | B(C1=CC=CC=C1COC2=C(C=CC(=C2)C)C(C)C)(O)O |
|---|---|
| IUPAC Name | [2-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]boronic acid |
| InChIKey | JDYAGWNUTBEZCI-UHFFFAOYSA-N |
| INCHI | 1S/C17H21BO3/c1-12(2)15-9-8-13(3)10-17(15)21-11-14-6-4-5-7-16(14)18(19)20/h4-10,12,19-20H,11H2,1-3H3 |
| Isomeric SMILES | B(C1=CC=CC=C1COC2=C(C=CC(=C2)C)C(C)C)(O)O |
| WGK Germany | 3 |
| PubChem CID | 16218124 |
| Molecular Weight | 284.16 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Monoterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aromatic monoterpenoids |
| Alternative Parents | Monocyclic monoterpenoids Phenylpropanes Cumenes Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Boronic acids Organic metalloid salts Organoboron compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Phenylpropane - Cumene - Phenoxy compound - Phenol ether - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Benzenoid - Boronic acid derivative - Boronic acid - Organic metalloid salt - Ether - Organooxygen compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organoboron compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. |
| External Descriptors | Not available |
| Molecular Weight | 284.200 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 284.158 Da |
| Monoisotopic Mass | 284.158 Da |
| Topological Polar Surface Area | 49.700 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 308.000 |
| 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 |
![2-[(2-Isopropyl-5-methylphenoxy)methyl]phenylboronic acid - CAS No(1072951-87-1) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/I/1/I165763.png)