5-Methoxyresorcinol - ≥95%(GC) , CAS No.2174-64-3

CAS: 2174-64-3 Cat. No.: M138499 Fórmula: CH₃OC₆H₃-1,3-(OH)₂ Peso molecular: 140.14 Beilstein Registry Number: 1423578 Número CE: 218-532-9

GRADE & PURITY ≥95%(GC)

Synonyms

AC-5487 | M1413 | DTXSID9025112 | 5-Methoxyresorcinol | FT-0620576 | InChI=1/C7H8O3/c1-10-7-3-5(8)2-6(9)4-7/h2-4,8-9H,1H | J-014267 | SR-01000944713 | Cellon | Ethene, chlorotrifluoro- | AS-40131 | MONO-O-METHYLPHLOROGLUCINOL | CHEBI:136806 | MFCD00002285

Storage

Protected from light,Room temperature

Shipped In

Normal

Visão geral

Kinetics of the aroxyl radical-scavenging action of 5-methoxyresorcinol has been investigated. The kinetics of reaction of 5,7-diisopropyl-tocopheroxyl radical (Toc) with 5-methoxyresorcinol has been measured by stopped-flow spectrophotometer.

Specifications

Sinónimos

AC-5487 | M1413 | DTXSID9025112 | 5-Methoxyresorcinol | FT-0620576 | InChI=1/C7H8O3/c1-10-7-3-5(8)2-6(9)4-7/h2-4,8-9H,1H | J-014267 | SR-01000944713 | Cellon | Ethene, chlorotrifluoro- | AS-40131 | MONO-O-METHYLPHLOROGLUCINOL | CHEBI:136806 | MFCD00002285

Especificações e pureza

≥95%(GC)

Condições de armazenamento de armazenamento

Protected from light,Room temperature

Enviado em

Normal

Pureza

≥95%(GC)

Nomes e identificadores

• Pubchem Sid: 508810027
• Sorrisos canónicos: COC1=CC(=CC(=C1)O)O
• IUPAC Name: 5-methoxybenzene-1,3-diol
• InChIKey: HDVRLUFGYQYLFJ-UHFFFAOYSA-N
• INCHI: 1S/C7H8O3/c1-10-7-3-5(8)2-6(9)4-7/h2-4,8-9H,1H3
• SMILES isoméricas: COC1=CC(=CC(=C1)O)O
• WGK Alemanha: 3
• Peso molecular: 140.14
• Beilstein: 1423578
• Reaxy-Rn: 1423578
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1423578&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Resorcinols Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Phenoxy compound - Methoxybenzene - Resorcinol - Phenol ether - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• External Descriptors: a small molecule

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

Alvos associados (humanos)

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water.
• Sensibilidade: Light sensitive
• Ponto de ebulição (°C): 213°C/16mmHg
• Ponto de fusão (°C): 78-80 °C
• Peso molecular: 140.140 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 140.047 Da
• Monoisotopic Mass: 140.047 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 95.000
• 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