4-Hydroxychalcone - ≥97%(HPLC) , CAS No.20426-12-4

CAS: 20426-12-4 Cat. No.: H157053 Molecular Weight: 224.26 EC Number: 622-377-6

2 Citations COA

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4-Hydroxychalcone - ≥97%(HPLC) CAS No(20426-12-4) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥97%(HPLC)

Synonyms

(4-Hydroxybenzal)acetophenone | 4-Hydroxychalcone | 4-hydroxy-chalcone | MLS000777850 | NSC170282 | NSC-170282 | UNII-JO97Q47VBU | MS-11494 | (E)-3-(4-hydroxyphenyl)-1-phenyl-2-propen-1-one | 2-Propen-1-one, 3-(4-hydroxyphenyl)-1-phenyl-, (2E)- | A814543

Storage

Room temperature

Shipped In

Normal

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Citations of This Product References Solution Calculators Reviews

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Why this grade

≥97%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Specifications & Purity

≥97%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(HPLC)

Names and Identifiers

Pubchem Sid	488195256
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488195256
Canonical Smiles	C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)O
IUPAC Name	(E)-3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
InChIKey	PWWCDTYUYPOAIU-DHZHZOJOSA-N
INCHI	1S/C15H12O2/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11,16H/b11-8+
Isomeric SMILES	C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)O
Molecular Weight	224.26
Reaxy-Rn	2049155
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2049155&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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Linear 1,3-diarylpropanoids
    - Subclass Chalcones and dihydrochalcones

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 Styrenes Benzoyl derivatives Aryl ketones 1-hydroxy-2-unsubstituted benzenoids Enones Acryloyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Retrochalcone - Cinnamylphenol - Hydroxycinnamic acid or derivatives - Benzoyl - Styrene - Aryl ketone - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Enone - Acryloyl-group - Alpha,beta-unsaturated ketone - Ketone - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - 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	phenols - chalcones
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. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

XDH Tclin Xanthine dehydrogenase (1038 Activities)

Discover Target: XDH

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)

Discover Target: GBA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Homo sapiens (32628 Activities)

Lot Number	Certificate Type	Date	Item
L1924023	Certificate of Analysis	Oct 23, 2023	H157053
G2321050	Certificate of Analysis	Jul 28, 2023	H157053
G2321025	Certificate of Analysis	Jul 27, 2023	H157053

Molecular Weight	224.250 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	224.084 Da
Monoisotopic Mass	224.084 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	269.000
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