for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | C1=CC=C(C=C1)C2C3=CC=CC=C3OC(=C2C=O)C4=CC=CC=C4 |
|---|---|
| IUPAC Name | 2,4-diphenyl-4H-chromene-3-carbaldehyde |
| InChIKey | OBQFMXJVCSSDCG-UHFFFAOYSA-N |
| INCHI | 1S/C22H16O2/c23-15-19-21(16-9-3-1-4-10-16)18-13-7-8-14-20(18)24-22(19)17-11-5-2-6-12-17/h1-15,21H |
| Isomeric SMILES | C1=CC=C(C=C1)C2C3=CC=CC=C3OC(=C2C=O)C4=CC=CC=C4 |
| Molecular Weight | 312.372 |
| Reaxy-Rn | 3555327 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3555327&ln= |
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 | Phenylpropanoids and polyketides |
| Class | Neoflavonoids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Neoflavonoids |
| Alternative Parents | 1-benzopyrans Benzene and substituted derivatives Vinylogous esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives Aldehydes |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Neoflavonoid skeleton - 1-benzopyran - Benzopyran - Benzenoid - Monocyclic benzene moiety - Vinylogous ester - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as neoflavonoids. These are compounds with a structure based on the 4-phenylchromene backbone. |
| External Descriptors | Not available |
| Molecular Weight | 312.400 g/mol |
|---|---|
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 312.115 Da |
| Monoisotopic Mass | 312.115 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 468.000 |
| 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 |
