The relative binding affinity of trans-4-stilbenecarboxaldehyde was calculated which was used in drug development targeting human estrogen receptor α.
| Pubchem Sid | 488195513 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488195513 |
| Canonical Smiles | C1=CC=C(C=C1)C=CC2=CC=C(C=C2)C=O |
| IUPAC Name | 4-[(E)-2-phenylethenyl]benzaldehyde |
| InChIKey | CLXSBHRRZNBTRT-VOTSOKGWSA-N |
| INCHI | 1S/C15H12O/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-12H/b7-6+ |
| Isomeric SMILES | C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C=O |
| WGK Germany | 3 |
| Molecular Weight | 208.26 |
| Reaxy-Rn | 509971 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=509971&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Stilbenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Stilbenes |
| Alternative Parents | Styrenes Benzoyl derivatives Benzaldehydes Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Stilbene - Styrene - Benzoyl - Benzaldehyde - Aryl-aldehyde - Benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K2202541 | Certificate of Analysis | Aug 19, 2025 | F156591 |
| K2202542 | Certificate of Analysis | Aug 19, 2025 | F156591 |
| K2202426 | Certificate of Analysis | Aug 15, 2025 | F156591 |
| G2523045 | Certificate of Analysis | Jul 30, 2025 | F156591 |
| Solubility | Solubility in hot EtOH almost transparency; |
|---|---|
| Melt Point(°C) | 112-115 °C |
| Molecular Weight | 208.250 g/mol |
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 208.089 Da |
| Monoisotopic Mass | 208.089 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 230.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
