4-(4-Methylcyclohexyl)phenol - ≥99% , CAS No.3769-25-3

CAS: 3769-25-3 Cat. No.: M399728 Fórmula: C₁₃H₁₈O Peso molecular: 190.281

GRADE & PURITY ≥99%

Synonyms

4-(4-methylcyclohexyl)phenol|3769-25-3|4-(trans-4-Methylcyclohexyl)phenol|CHEMBL4453541|Phenol, 4-(trans-4-methylcyclohexyl)-|116794-13-9|SCHEMBL2612209|SCHEMBL13986753|SCHEMBL17866598|DTXSID301298140|BDBM50517936|BS-48093|F71363

Storage

Protected from light,Desiccated,Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-(4-methylcyclohexyl)phenol | 3769-25-3 | 4-(trans-4-Methylcyclohexyl)phenol | CHEMBL4453541 | Phenol, 4-(trans-4-methylcyclohexyl)- | 116794-13-9 | SCHEMBL2612209 | SCHEMBL13986753 | SCHEMBL17866598 | DTXSID301298140 | BDBM50517936 | BS-48093 | F71363

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Protected from light,Desiccated,Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488199894
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199894
• Sonrisas canónicas: CC1CCC(CC1)C2=CC=C(C=C2)O
• IUPAC Name: 4-(4-methylcyclohexyl)phenol
• InChIKey: NLMVQZFBRACNBU-UHFFFAOYSA-N
• INCHI: 1S/C13H18O/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h6-11,14H,2-5H2,1H3
• Isómeros SMILES: CC1CCC(CC1)C2=CC=C(C=C2)O
• Peso molecular: 190.281
• Reaxy-Rn: 1870451
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1870451&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Cyclohexylphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexylphenols
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cyclohexylphenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cyclohexylphenols. These are compounds containing a cyclohexane lined to a phenol group.
• 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

Objetivos asociados (humanos)

ESR2 Tclin Estrogen receptor beta (2 Activities)

Discover Target: ESR2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

ESR2 Tclin Estrogen receptor beta (9272 Activities)

Discover Target: ESR2

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Peso molecular: 190.280 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 190.136 Da
• Monoisotopic Mass: 190.136 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 162.000
• 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

Preguntas frecuentes

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3769-25-3, the molecular formula is C13H18O, and the molecular weight is 190.281 g/mol. InChIKey NLMVQZFBRACNBU-UHFFFAOYSA-N.

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.