2-(2，4-dichlorophenyl)-1-(4-methoxyphenyl)ethanone - ≥95% , CAS No.153529-19-2

CAS: 153529-19-2 Cat. No.: E728519 Formule: C₁₅H₁₂Cl₂O₂ Poids moléculaire: 295.2 PubChem CID: 15650396

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Pureté

≥95%

Noms et identifiants

Sourires canoniques

COC1=CC=C(C=C1)C(=O)CC2=C(C=C(C=C2)Cl)Cl

IUPAC Name

2-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)ethanone

InChIKey

HSEZPMFPNJGRPQ-UHFFFAOYSA-N

INCHI

1S/C15H12Cl2O2/c1-19-13-6-3-10(4-7-13)15(18)8-11-2-5-12(16)9-14(11)17/h2-7,9H,8H2,1H3

Isomères SMILES

COC1=CC=C(C=C1)C(=O)CC2=C(C=C(C=C2)Cl)Cl

PubChem CID

15650396

Poids moléculaire

295.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Alkyl-phenylketones Phenoxy compounds Methoxybenzenes Dichlorobenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Alkyl-phenylketone - Phenylketone - Anisole - Benzoyl - 1,3-dichlorobenzene - Phenol ether - Phenoxy compound - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - Halobenzene - Alkyl aryl ether - Chlorobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Ketone - Ether - Organooxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Poids moléculaire: 295.200 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 294.021 Da
• Monoisotopic Mass: 294.021 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 301.000
• 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