2'-Hydroxy-4',6'-dimethoxy-2-phenylacetophenone - ≥94% , CAS No.39604-66-5

CAS: 39604-66-5 Cat. No.: H404544 Summenformel: C₁₆H₁₆O₄ Molekulargewicht: 272.3 EG-Nummer: 622-210-7

GRADE & PURITY ≥94%

Synonyms

2'-Hydroxy-4',6'-dimethoxy-2-phenylacetophenone | H1577 | DTXSID90351018 | 1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylethanone | T72423 | 4',6'-Dimethoxy-2-2'-hydroxy-2-phenylacetophenone, 96% | Benzyl 2-Hydroxy-4,6-dimethoxyphenyl Ketone | 1-(2-hydroxy-4,

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

2'-Hydroxy-4',6'-dimethoxy-2-phenylacetophenone | H1577 | DTXSID90351018 | 1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylethanone | T72423 | 4',6'-Dimethoxy-2-2'-hydroxy-2-phenylacetophenone, 96% | Benzyl 2-Hydroxy-4,6-dimethoxyphenyl Ketone | 1-(2-hydroxy-4,

Spezifikationen & Reinheit

≥94%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥94%

Namen und Kennungen

• Pubchem Sid: 504759903
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759903
• Kanonisches Lächeln: COC1=CC(=C(C(=C1)OC)C(=O)CC2=CC=CC=C2)O
• IUPAC Name: 1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylethanone
• InChIKey: NIWDJRBUBVCKAV-UHFFFAOYSA-N
• INCHI: 1S/C16H16O4/c1-19-12-9-14(18)16(15(10-12)20-2)13(17)8-11-6-4-3-5-7-11/h3-7,9-10,18H,8H2,1-2H3
• Isomere SMILES: COC1=CC(=C(C(=C1)OC)C(=O)CC2=CC=CC=C2)O
• Molekulargewicht: 272.3
• Reaxy-Rn: 2058767
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2058767&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Alkyl-phenylketones Methoxyphenols Dimethoxybenzenes Phenoxy compounds Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Alkyl-phenylketone - Methoxyphenol - Dimethoxybenzene - M-dimethoxybenzene - Phenylketone - Phenoxy compound - Benzoyl - Phenol ether - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Ketone - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Toluene
• Schmelzpunkt (°C): 117 °C
• Molekulargewicht: 272.290 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 272.105 Da
• Monoisotopic Mass: 272.105 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 312.000
• 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