4,4'-(2-Hydroxybenzylidene)bis(2,3,6-trimethylphenol) - ≥98%(HPLC) , CAS No.184355-68-8

CAS: 184355-68-8 Cat. No.: H157405 Peso molecular: 376.5 Número EC: 680-098-5

GRADE & PURITY ≥98%(HPLC)

Synonyms

4,4'-((2-hydroxyphenyl)methylene)-bis(2,3,6-trimethylphenol) | 4,4'-((2-Hydroxyphenyl)methylene)bis(2,3,6-trimethylphenol) | 4-[(4-HYDROXY-2,3,5-TRIMETHYLPHENYL)(2-HYDROXYPHENYL)METHYL]-2,3,6-TRIMETHYLPHENOL | D91011 | 4,4'-[(2-Hydroxyphenyl)methylene]bis

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4, 4'-((2-hydroxyphenyl)methylene)-bis(2, 3, 6-trimethylphenol) | 4, 4'-((2-Hydroxyphenyl)methylene)bis(2, 3, 6-trimethylphenol) | 4-[(4-HYDROXY-2, 3, 5-TRIMETHYLPHENYL)(2-HYDROXYPHENYL)METHYL]-2, 3, 6-TRIMETHYLPHENOL | D91011 | 4, 4'-[(2-Hydroxyphenyl)methylene]bis

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=C(C(=C1O)C)C)C(C2=CC=CC=C2O)C3=C(C(=C(C(=C3)C)O)C)C
• IUPAC Name: 4-[(2-hydroxyphenyl)-(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol
• InChIKey: CLAQXRONBVEWMK-UHFFFAOYSA-N
• INCHI: 1S/C25H28O3/c1-13-11-20(15(3)17(5)24(13)27)23(19-9-7-8-10-22(19)26)21-12-14(2)25(28)18(6)16(21)4/h7-12,23,26-28H,1-6H3
• Isómeros SMILES: CC1=CC(=C(C(=C1O)C)C)C(C2=CC=CC=C2O)C3=C(C(=C(C(=C3)C)O)C)C
• Peso molecular: 376.5
• Reaxy-Rn: 37913352
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37913352&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Ortho cresols Meta cresols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenyl compound - O-cresol - M-cresol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl 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

• Peso molecular: 376.500 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 376.204 Da
• Monoisotopic Mass: 376.204 Da
• Topological Polar Surface Area: 60.700 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 474.000
• 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