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(2-Butylbenzofuran-3-yl)(4-methoxyphenyl)methanone - ≥97%, high purity , CAS No.83790-87-8

COA

Grade & Purity:

≥97%

Cas Number: 83790-87-8
PubChem CID: 3019323

In stock

Item Number

M708417

Grouped product items
SKU	Size	Availability	Price	Qty
M708417-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$171.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Aryl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Aryl-phenylketones
Alternative Parents	Benzofurans Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles 3-aroylfurans Alkyl aryl ethers Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Aryl-phenylketone - Benzofuran - Anisole - Phenoxy compound - Benzoyl - Phenol ether - 3-aroylfuran - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Furan - Heteroaromatic compound - Ether - Organoheterocyclic compound - Oxacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
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

Names and Identifiers

IUPAC Name	(2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
INCHI	InChI=1S/C20H20O3/c1-3-4-8-18-19(16-7-5-6-9-17(16)23-18)20(21)14-10-12-15(22-2)13-11-14/h5-7,9-13H,3-4,8H2,1-2H3
InChIKey	ZECBGDFBAKHQFF-UHFFFAOYSA-N
Smiles	CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)OC
Isomeric SMILES	CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)OC
PubChem CID	3019323

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	308.400 g/mol
XLogP3	5.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	308.141 Da
Monoisotopic Mass	308.141 Da
Topological Polar Surface Area	39.400 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	386.000
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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