(3-Chlorophenyl)[3-(methoxymethoxy)phenyl]methanone , CAS No.938458-64-1

CAS: 938458-64-1 Cat. No.: C1333657 Peso molecular: 276.72 PubChem CID: 28063041

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: COCOC1=CC=CC(=C1)C(=O)C2=CC(=CC=C2)Cl
• IUPAC Name: (3-chlorophenyl)-[3-(methoxymethoxy)phenyl]methanone
• InChIKey: WAZZHPURGZNSOS-UHFFFAOYSA-N
• INCHI: 1S/C15H13ClO3/c1-18-10-19-14-7-3-5-12(9-14)15(17)11-4-2-6-13(16)8-11/h2-9H,10H2,1H3
• Isómeros SMILES: COCOC1=CC=CC(=C1)C(=O)C2=CC(=CC=C2)Cl
• PubChem CID: 28063041
• Peso molecular: 276.72

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Phenoxy compounds Phenol ethers Benzoyl derivatives Chlorobenzenes Aryl chlorides Acetals Organochlorides Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Phenoxy compound - Benzoyl - Phenol ether - Aryl ketone - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Ketone - Acetal - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

Propiedades químicas y físicas

• Peso molecular: 276.710 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 276.055 Da
• Monoisotopic Mass: 276.055 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 295.000
• 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