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Small Molecules & Compound Libraries
3-(4-Chlorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one , CAS No.19152-38-6

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3-(4-Chlorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one , CAS No.19152-38-6

COA

Cas Number: 19152-38-6
Molecular Weight: 258.7
PubChem CID: 5712162

In stock

Item Number

C668947

Grouped product items
SKU	Size	Availability	Price	Qty
C668947-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
C668947-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90

Basic Description

Synonyms	3-(4-chlorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one \| (E)-3-(4-Chlorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one \| 2-Propen-1-one, 3-(4-chlorophenyl)-1-(4-hydroxyphenyl)- \| substituted chalcone, 5l \| BDBM29145 \| MFCD00093813 \| AKOS001297681 \| NCGC0034124

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 Styrenes Benzoyl derivatives Aryl ketones Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Enones Acryloyl compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Retrochalcone - Cinnamylphenol - Benzoyl - Styrene - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Phenol - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Benzenoid - Enone - Acryloyl-group - Alpha,beta-unsaturated ketone - Ketone - Organic oxygen compound - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxide - 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	Not available
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

Product Properties

ALogP	3.4

Associated Targets(Human)

MAOB Tclin Amine oxidase [flavin-containing] B (1 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MAOA Tclin Monoamine oxidase A (11911 Activities)

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

MAOB Tclin Monoamine oxidase B (8835 Activities)

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

Homo sapiens (32628 Activities)

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Associated Targets(non-human)

Staphylococcus aureus (210822 Activities)

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

Plasmodium falciparum (966862 Activities)

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

L1210 (27553 Activities)

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

P388 (20296 Activities)

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	(E)-3-(4-chlorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
INCHI	InChI=1S/C15H11ClO2/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10,17H/b10-3+
InChIKey	OQSNPMDWFJMKLH-XCVCLJGOSA-N
Smiles	C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)O)Cl
Isomeric SMILES	C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)O)Cl
Molecular Weight	258.7
Reaxy-Rn	2617498
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2617498&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	258.700 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	258.045 Da
Monoisotopic Mass	258.045 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	298.000
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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3-(4-Chlorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one , CAS No.19152-38-6

Basic Description

Taxonomic Classification

Product Properties

Associated Targets(Human)

Associated Targets(non-human)

Mechanisms of Action

Names and Identifiers

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

Chemical and Physical Properties

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Reviews

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