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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCCCCC1=CC2=C(C(=C1)OC)C3=C(C=CC(=C3)C)C(O2)(C)C |
|---|---|
| IUPAC Name | 1-methoxy-6,6,9-trimethyl-3-pentylbenzo[c]chromene |
| InChIKey | YEDIZIGYIMTZKP-UHFFFAOYSA-N |
| INCHI | 1S/C22H28O2/c1-6-7-8-9-16-13-19(23-5)21-17-12-15(2)10-11-18(17)22(3,4)24-20(21)14-16/h10-14H,6-9H2,1-5H3 |
| Molecular Weight | 324.500 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dibenzopyrans |
| Alternative Parents | 2-benzopyrans Anisoles Alkyl aryl ethers Oxacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dibenzopyran - 2-benzopyran - Anisole - Alkyl aryl ether - Benzenoid - Oxacycle - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as dibenzopyrans. These are organic heterocyclic compounds with a structure containing a dibenzopyran moiety, made up of two benzene rings fused to a central pyran ring. |
| External Descriptors | Not available |
| Molecular Weight | 324.500 g/mol |
|---|---|
| XLogP3 | 6.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 324.209 Da |
| Monoisotopic Mass | 324.209 Da |
| Topological Polar Surface Area | 18.500 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 405.000 |
| 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 |