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

CAS: 2549-87-3 Cat. No.: A107651 Summenformel: C₁₆H₁₄O₃ Molekulargewicht: 254.28 EG-Nummer: 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

Synonyme

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-

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

488185154

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

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

WGK Deutschland

3

Molekulargewicht

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
    • 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 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
• 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 Toluene
• Siedepunkt (°C): 178°C/1mmHg
• Schmelzpunkt (°C): 67-70°C
• Molekulargewicht: 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