Phenol, 4-tricyclo[3.3.1.13,7]dec-1-yl-


Chemical Name: Phenol, 4-tricyclo[3.3.1.13,7]dec-1-yl-
CAS Number: 29799-07-3
Product Number: AG00I5IL(AGN-PC-0JO23M)
Synonyms:
MDL No:
Molecular Formula: C16H20O
Molecular Weight: 228.3294

Identification/Properties


Properties
MP:
181-183 °C(lit.);
BP:
361.6°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
228.335g/mol
XLogP3:
5.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
228.151g/mol
Monoisotopic Mass:
228.151g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
259
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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Chemical Structure



4-(Adamantan-1-yl)phenol, also known as adamantylphenol, is a versatile compound commonly used in chemical synthesis for various applications. This organic compound is valued for its unique structure and properties that make it a valuable intermediate in the production of pharmaceuticals, agrochemicals, and specialty chemicals.One of the key applications of 4-(Adamantan-1-yl)phenol in chemical synthesis is as a building block for the synthesis of novel pharmaceutical compounds. Its adamantane moiety provides steric hindrance and rigidity, which can impart desirable properties to the final product. By incorporating 4-(Adamantan-1-yl)phenol into the molecular structure of drug candidates, researchers can potentially enhance their pharmacokinetic profiles, improve their stability, or modulate their biological activity.Furthermore, in agrochemical synthesis, 4-(Adamantan-1-yl)phenol can serve as a key building block for the development of new pesticides and herbicides. Its unique chemical structure can influence the bioactivity, selectivity, and environmental fate of the final agrochemical product, making it a valuable component in the design of next-generation crop protection agents.Additionally, in the realm of specialty chemicals, 4-(Adamantan-1-yl)phenol can be utilized in the synthesis of advanced materials, such as polymers, resins, and functionalized surfaces. Its adamantane scaffold can confer specific properties, such as thermal stability, hydrophobicity, or molecular recognition capabilities, to the resulting materials, expanding their potential applications in various industries.Overall, the versatile nature of 4-(Adamantan-1-yl)phenol makes it a valuable building block in chemical synthesis, enabling the development of innovative compounds with tailored properties for pharmaceutical, agrochemical, and specialty chemical applications.