2-Methoxy-2,4-diphenyl-3(2H)-furanone - ≥98%(HPLC) , CAS No.50632-57-0

CAS: 50632-57-0 Cat. No.: M158536 Molecular Weight: 266.3 EC Number: 634-868-2

GRADE & PURITY ≥98%(HPLC)

Synonyms

AS-63201 | HY-W277900 | 2-Mdpf | A871495 | SCHEMBL357523 | DTXSID70964867 | M0722 | 3(2H)-Furanone,2-methoxy-2,4-diphenyl- | AKOS015912811 | 2-Methoxy-2,4-diphenylfuran-3(2H)-one | 3(2H)-Furanone, 2-methoxy-2,4-diphenyl- | MFCD00036834 | 2-Methoxy-2,4-dip

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

AS-63201 | HY-W277900 | 2-Mdpf | A871495 | SCHEMBL357523 | DTXSID70964867 | M0722 | 3(2H)-Furanone, 2-methoxy-2, 4-diphenyl- | AKOS015912811 | 2-Methoxy-2, 4-diphenylfuran-3(2H)-one | 3(2H)-Furanone, 2-methoxy-2, 4-diphenyl- | MFCD00036834 | 2-Methoxy-2, 4-dip

Specifications & Purity

≥98%(HPLC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: COC1(C(=O)C(=CO1)C2=CC=CC=C2)C3=CC=CC=C3
• IUPAC Name: 2-methoxy-2,4-diphenylfuran-3-one
• InChIKey: BLWINLJDTOJSRU-UHFFFAOYSA-N
• INCHI: 1S/C17H14O3/c1-19-17(14-10-6-3-7-11-14)16(18)15(12-20-17)13-8-4-2-5-9-13/h2-12H,1H3
• Isomeric SMILES: COC1(C(=O)C(=CO1)C2=CC=CC=C2)C3=CC=CC=C3
• Molecular Weight: 266.3
• Reaxy-Rn: 1288529
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1288529&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Ketals Furanones Vinylogous esters Cyclic ketones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzylether - Ketal - 3-furanone - Vinylogous ester - Dihydrofuran - Cyclic ketone - Ketone - Oxacycle - Organoheterocyclic compound - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• 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

Chemical and Physical Properties

• Sensitivity: Moisture Sensitive
• Melt Point(°C): 96 °C
• Molecular Weight: 266.290 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 266.094 Da
• Monoisotopic Mass: 266.094 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 389.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Haiqian Zhao, Jihui Gao, Wei Zhou, Zhonghua Wang, Shaohua Wu.  (2015)  Quantitative detection of hydroxyl radicals in Fenton system by UV-vis spectrophotometry.  Analytical Methods,  7  (13): (5447-5453).  [PMID:] [10.1039/C5AY00514K]

2. Xuexia Li, Thumawadee Wongwirat, Linqi Li, Yuan Xi, Junji Wei, Lei Zhu.  (2025)  Dipole Glass Polymer with High Dielectric Constant Based on Side Chain Functionalized Poly(ether ether ketone).  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.4c03621]