4-(Methoxymethyl)phenol - ≥96% , CAS No.5355-17-9

CAS: 5355-17-9 Cat. No.: M170858 Fórmula: C₈H₁₀O₂ Peso molecular: 138.168 Número EC: 226-334-9

GRADE & PURITY ≥96%

Synonyms

p-(methoxymethyl)phenol | SCHEMBL63724 | SY026430 | UNII-17CJ5983VN | DS-14089 | ETHER,(4-HYDROXYBENZYL),METHYL (TOLUENE,4-HYDROXY,ALPHA-METHOXY) | FT-0717554 | Q27251899 | alpha-Methoxy-p-cresol | 4-Methoxymethylphenol | 4-Methoxymethyl-phenol | MFCD000

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

p-(methoxymethyl)phenol | SCHEMBL63724 | SY026430 | UNII-17CJ5983VN | DS-14089 | ETHER,(4-HYDROXYBENZYL),METHYL (TOLUENE,4-HYDROXY,ALPHA-METHOXY) | FT-0717554 | Q27251899 | alpha-Methoxy-p-cresol | 4-Methoxymethylphenol | 4-Methoxymethyl-phenol | MFCD000

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

Pubchem Sid

488185710

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185710

Sonrisas canónicas

COCC1=CC=C(C=C1)O

IUPAC Name

4-(methoxymethyl)phenol

InChIKey

AHXXIALEMINDAW-UHFFFAOYSA-N

INCHI

1S/C8H10O2/c1-10-6-7-2-4-8(9)5-3-7/h2-5,9H,6H2,1H3

Isómeros SMILES

COCC1=CC=C(C=C1)O

Peso molecular

138.168

Reaxy-Rn

1860267

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1860267&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 138.160 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 138.068 Da
• Monoisotopic Mass: 138.068 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 85.300
• 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