2，4-dimethoxy-4’-hydroxybenzophenone - ≥97% , CAS No.41351-30-8

CAS: 41351-30-8 Cat. No.: D134160 Summenformel: C₁₅H₁₄O₄ Molekulargewicht: 258.27 Beilstein Registry Number: 2508320 EG-Nummer: 624-466-5

GRADE & PURITY ≥97%

Synonyms

QEHRETCJMLQPCR-UHFFFAOYSA-N | F17017 | DS-14881 | Oprea1_807302 | (2,4-Dimethoxyphenyl)-(4-hydroxyphenyl)methanone | (2,4-dimethoxyphenyl)(4-hydroxyphenyl)methanone | 2,4-dimethoxy-4'hydroxybenzophenone | 2,4-Dimethoxy-4'-hydroxybenzophenone | A825525 | A

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

QEHRETCJMLQPCR-UHFFFAOYSA-N | F17017 | DS-14881 | Oprea1_807302 | (2,4-Dimethoxyphenyl)-(4-hydroxyphenyl)methanone | (2,4-dimethoxyphenyl)(4-hydroxyphenyl)methanone | 2,4-dimethoxy-4'hydroxybenzophenone | 2,4-Dimethoxy-4'-hydroxybenzophenone | A825525 | A

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488191125
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191125
• Kanonisches Lächeln: COC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)O)OC
• IUPAC Name: (2,4-dimethoxyphenyl)-(4-hydroxyphenyl)methanone
• InChIKey: QEHRETCJMLQPCR-UHFFFAOYSA-N
• INCHI: 1S/C15H14O4/c1-18-12-7-8-13(14(9-12)19-2)15(17)10-3-5-11(16)6-4-10/h3-9,16H,1-2H3
• Isomere SMILES: COC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)O)OC
• WGK Deutschland: 3
• Molekulargewicht: 258.27
• Beilstein: 2508320
• Reaxy-Rn: 2508320
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2508320&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Dimethoxybenzenes Phenoxy compounds Benzoyl derivatives Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - M-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Aryl ketone - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Ketone - Ether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in methanol
• Schmelzpunkt (°C): 153 °C
• Molekulargewicht: 258.269 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 258.089 Da
• Monoisotopic Mass: 258.089 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 297.000
• 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