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· · COA & SDS available for every product · Same-day shipping on in-stock items (E)-1-(4'-Chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one , CAS No.152809-69-3
Synonyms
RIK7LYIOUJ | UNII-RIK7LYIOUJ | 1-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one | (E)-1-(4'-Chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one | (E)-1-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one | 2-Propen-1-one, 1
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
RIK7LYIOUJ | UNII-RIK7LYIOUJ | 1-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one | (E)-1-(4'-Chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one | (E)-1-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one | 2-Propen-1-one, 1
Product Properties Names and Identifiers Canonical Smiles COC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)Cl)O IUPAC Name (E)-1-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one InChIKey KCTNGNPVURILGU-KRXBUXKQSA-N INCHI 1S/C16H13ClO3/c1-20-16-10-11(3-9-15(16)19)2-8-14(18)12-4-6-13(17)7-5-12/h2-10,19H,1H3/b8-2+ Isomeric SMILES COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)Cl)O Molecular Weight 288.72 Reaxy-Rn 3140279 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3140279&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Phenylpropanoids and polyketides Class Linear 1,3-diarylpropanoids Subclass Chalcones and dihydrochalcones Intermediate Tree Nodes Not available Direct Parent Retrochalcones Alternative Parents Cinnamylphenols Hydroxycinnamic acids and derivatives Methoxyphenols Styrenes Phenoxy compounds Methoxybenzenes Anisoles Aryl ketones Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Chlorobenzenes Aryl chlorides Acryloyl compounds Enones Organochlorides Hydrocarbon derivatives Organic oxides Molecular Framework Aromatic homomonocyclic compounds Substituents Retrochalcone - Cinnamylphenol - Hydroxycinnamic acid or derivatives - Cinnamic acid or derivatives - Methoxyphenol - Phenoxy compound - Phenol ether - Styrene - Anisole - Benzoyl - Methoxybenzene - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Halobenzene - Chlorobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Enone - Alpha,beta-unsaturated ketone - Acryloyl-group - Ketone - Ether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 288.720 g/mol XLogP3 4.000 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 4 Exact Mass 288.055 Da Monoisotopic Mass 288.055 Da Topological Polar Surface Area 46.500 Ų Heavy Atom Count 20 Formal Charge 0 Complexity 348.000 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
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