3-CHLORO-4-HYDROXY-5-METHOXYBENZYL ALCOHOL - ≥98% , CAS No.20624-92-4

CAS: 20624-92-4 Cat. No.: C168442 Peso molecular: 188.612 Número EC: 653-916-3

GRADE & PURITY ≥98%

Synonyms

AKOS000126570 | DTXSID50400394 | 2-chloro-4-(hydroxymethyl)-6-methoxyphenol | MFCD00016870 | 5-Chlorovanillyl alcohol | Benzenemethanol, 3-chloro-4-hydroxy-5-methoxy- | FT-0691613 | 3-CHLORO-4-HYDROXY-5-METHOXYBENZYL ALCOHOL | AS-75757 | SCHEMBL4825263 |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS000126570 | DTXSID50400394 | 2-chloro-4-(hydroxymethyl)-6-methoxyphenol | MFCD00016870 | 5-Chlorovanillyl alcohol | Benzenemethanol, 3-chloro-4-hydroxy-5-methoxy- | FT-0691613 | 3-CHLORO-4-HYDROXY-5-METHOXYBENZYL ALCOHOL | AS-75757 | SCHEMBL4825263 |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488194736
• Sonrisas canónicas: COC1=C(C(=CC(=C1)CO)Cl)O
• IUPAC Name: 2-chloro-4-(hydroxymethyl)-6-methoxyphenol
• InChIKey: VQEZBFOBPUKDGM-UHFFFAOYSA-N
• INCHI: 1S/C8H9ClO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-3,10-11H,4H2,1H3
• Isómeros SMILES: COC1=C(C(=CC(=C1)CO)Cl)O
• Peso molecular: 188.612
• Reaxy-Rn: 2048890
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2048890&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Phenoxy compounds O-chlorophenols Methoxybenzenes Benzyl alcohols Anisoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Primary alcohols Organochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Benzyl alcohol - Phenol ether - 2-halophenol - 2-chlorophenol - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Ether - Primary alcohol - Aromatic alcohol - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: 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: 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

• Sensibilidad: Moisture sensitive.
• Peso molecular: 188.610 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 188.024 Da
• Monoisotopic Mass: 188.024 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 142.000
• 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

Referencias

1. Siwen Li, Hongyan Zhu, Songtao Li, Rasmané SEMDE, Hongbo Teng, Mengqi Shi, Liang Huang, Xinru Lou, Beining Jia, Yan Zhao.  (2025)  Protocatechuic Acid improves Alzheimer's disease by regulating the cholinergic synaptic signaling pathway.  CHEMISTRY & BIODIVERSITY,      [PMID:39776239] [10.1002/cbdv.202402771]