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3-(3，4-Dimethoxyphenyl)-1-(3-hydroxyphenyl)propan-1-one - ≥95%, high purity , CAS No.178445-83-5

COA

Grade & Purity:

≥95%

Cas Number: 178445-83-5
Molecular Weight: 286.32
PubChem CID: 2771666

In stock

Item Number

P700681

Grouped product items
SKU	Size	Availability	Price
P700681-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$24.90
P700681-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$60.90
P700681-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$242.90

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	Retro-dihydrochalcones
Alternative Parents	Cinnamylphenols Alkyl-phenylketones Butyrophenones Dimethoxybenzenes Phenoxy compounds Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Retro-dihydrochalcone - Cinnamylphenol - Alkyl-phenylketone - Butyrophenone - O-dimethoxybenzene - Dimethoxybenzene - Phenylketone - Benzoyl - Anisole - Phenol ether - Methoxybenzene - Aryl alkyl ketone - Aryl ketone - Phenoxy compound - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Ketone - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as retro-dihydrochalcones. These are a form of normal dihydrochalcones 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

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	3-(3,4-dimethoxyphenyl)-1-(3-hydroxyphenyl)propan-1-one
INCHI	InChI=1S/C17H18O4/c1-20-16-9-7-12(10-17(16)21-2)6-8-15(19)13-4-3-5-14(18)11-13/h3-5,7,9-11,18H,6,8H2,1-2H3
InChIKey	FHRRNHCFBUDADJ-UHFFFAOYSA-N
Smiles	COC1=C(C=C(C=C1)CCC(=O)C2=CC(=CC=C2)O)OC
Isomeric SMILES	COC1=C(C=C(C=C1)CCC(=O)C2=CC(=CC=C2)O)OC
PubChem CID	2771666
Molecular Weight	286.32

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	286.320 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	286.121 Da
Monoisotopic Mass	286.121 Da
Topological Polar Surface Area	55.800 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	331.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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