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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 | C1CCCCCC(CCCCC1)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O |
|---|---|
| IUPAC Name | 4-[1-(4-hydroxyphenyl)cyclododecyl]phenol |
| InChIKey | BHWMWBACMSEDTE-UHFFFAOYSA-N |
| INCHI | 1S/C24H32O2/c25-22-14-10-20(11-15-22)24(21-12-16-23(26)17-13-21)18-8-6-4-2-1-3-5-7-9-19-24/h10-17,25-26H,1-9,18-19H2 |
| Isomeric SMILES | C1CCCCCC(CCCCC1)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O |
| Alternate CAS | 29651-54-5 |
| PubChem CID | 15850060 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diphenylmethane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - 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 | 352.500 g/mol |
|---|---|
| XLogP3 | 8.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 352.24 Da |
| Monoisotopic Mass | 352.24 Da |
| Topological Polar Surface Area | 40.500 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 342.000 |
| 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 |