Benzyl 4-Hydroxyphenyl Ketone - ≥98% , CAS No.2491-32-9

CAS: 2491-32-9 Cat. No.: B152117 Peso molecular: 212.25 Número EC: 219-654-5

GRADE & PURITY ≥98%

Synonyms

Isophthaldialdehyde | SMR000684813 | 4'-Hydroxydeoxybenzoin | 4-Hydroxydeoxybenzoin | CHEBI:192647 | CI-808 | Ethanone, 1-(4-hydroxyphenyl)-2-phenyl- | 4-hydroxyphenyl benzyl ketone | 1-(4-Hydroxyphenyl)-2-phenyl ethanone | p-(Phenylacetyl)phenol | Acetop

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Isophthaldialdehyde | SMR000684813 | 4'-Hydroxydeoxybenzoin | 4-Hydroxydeoxybenzoin | CHEBI:192647 | CI-808 | Ethanone, 1-(4-hydroxyphenyl)-2-phenyl- | 4-hydroxyphenyl benzyl ketone | 1-(4-Hydroxyphenyl)-2-phenyl ethanone | p-(Phenylacetyl)phenol | Acetop

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488185140
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185140
• Sonrisas canónicas: C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)O
• IUPAC Name: 1-(4-hydroxyphenyl)-2-phenylethanone
• InChIKey: JBQTZLNCDIFCCO-UHFFFAOYSA-N
• INCHI: 1S/C14H12O2/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9,15H,10H2
• Isómeros SMILES: C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)O
• WGK Alemania: 3
• Peso molecular: 212.25
• Reaxy-Rn: 1873430
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1873430&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Alkyl-phenylketones Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Alkyl-phenylketone - Phenylketone - Benzoyl - Aryl ketone - Aryl alkyl ketone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Ketone - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound
• Descripción: 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

Objetivos asociados (humanos)

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Punto de fusión (°C): 149 °C
• Peso molecular: 212.240 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 212.084 Da
• Monoisotopic Mass: 212.084 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 223.000
• 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