4-アリルオキシ-2-ヒドロキシベンゾフェノン - ≥99% , CAS No.2549-87-3

CAS: 2549-87-3 Cat. No.: A107651 分子式: C₁₆H₁₄O₃ 分子量: 254.28 EC番号: 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

ノーマル

Specifications

同義語

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-

仕様と純度

≥99%

保管条件

Room temperature

入荷

ノーマル

純度

≥99%

名前と識別子

パブケム・シド

488185154

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

3

分子量

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
    • 分類 Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Soluble in Toluene
• 沸点（°C）: 178°C/1mmHg
• 融点（°C）: 67-70°C
• 分子量: 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