4-Allyloxy-2-hydroxybenzophenone - ≥99% , CAS No.2549-87-3

CAS: 2549-87-3 Cat. No.: A107651 Fórmula: C₁₆H₁₄O₃ Peso molecular: 254.28 Número EC: 607-738-8

GRADE & PURITY ≥99%

Synonyms

AKOS000121340 | MFCD00191713 | 2-hydroxy-4-allyloxybenzophenone | 4-Allyloxy-2-hydroxybenzophenone, 99% | [2-hydroxy-4-(prop-2-en-1-yloxy)phenyl](phenyl)methanone | 2-benzoyl-5-(prop-2-en-1-yloxy)phenol | Z104510766 | AC1091 | AS-67317 | (s)-n-benzyl-3,4-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS000121340 | MFCD00191713 | 2-hydroxy-4-allyloxybenzophenone | 4-Allyloxy-2-hydroxybenzophenone, 99% | [2-hydroxy-4-(prop-2-en-1-yloxy)phenyl](phenyl)methanone | 2-benzoyl-5-(prop-2-en-1-yloxy)phenol | Z104510766 | AC1091 | AS-67317 | (s)-n-benzyl-3,4-

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

488185154

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185154

Sonrisas canónicas

C=CCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O

IUPAC Name

(2-hydroxy-4-prop-2-enoxyphenyl)-phenylmethanone

InChIKey

GVZIBGFELWPEOC-UHFFFAOYSA-N

INCHI

1S/C16H14O3/c1-2-10-19-13-8-9-14(15(17)11-13)16(18)12-6-4-3-5-7-12/h2-9,11,17H,1,10H2

Isómeros SMILES

C=CCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O

WGK Alemania

3

Peso molecular

254.28

Reaxy-Rn

1978875

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1978875&ln=

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 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: Benzophenone - Diphenylmethane - Aryl-phenylketone - Aryl ketone - Phenol ether - Benzoyl - Phenoxy compound - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Vinylogous acid - Ketone - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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

• Solubilidad: Soluble in Toluene
• Punto de ebullición (°C): 178°C/1mmHg
• Punto de fusión (°C): 67-70°C
• Peso molecular: 254.280 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 254.094 Da
• Monoisotopic Mass: 254.094 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 307.000
• 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