4-(4-Hydroxyphenyl)cyclohexanone - ≥97% , CAS No.105640-07-1

CAS: 105640-07-1 Cat. No.: H115510 Fórmula: C₁₂H₁₄O₂ Peso molecular: 190.24 Beilstein Registry Number: 3269332 Número CE: 600-672-0

GRADE & PURITY ≥97%

Synonyms

A801289 | SLJYPZJZQIHNGU-UHFFFAOYSA-N | DTXSID80404724 | SCHEMBL433755 | Q-200402 | SY021353 | Cyclohexanone, 4-(4-hydroxyphenyl)- | 4-(4-hydroxyphenyl)cyclohexan-1-one | BCP11797 | AKOS005146050 | MFCD00210693 | STL557634 | A801309 | H1316 | AMY33348 | B

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

A801289 | SLJYPZJZQIHNGU-UHFFFAOYSA-N | DTXSID80404724 | SCHEMBL433755 | Q-200402 | SY021353 | Cyclohexanone, 4-(4-hydroxyphenyl)- | 4-(4-hydroxyphenyl)cyclohexan-1-one | BCP11797 | AKOS005146050 | MFCD00210693 | STL557634 | A801309 | H1316 | AMY33348 | B

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 488194922
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194922
• Sorrisos canónicos: C1CC(=O)CCC1C2=CC=C(C=C2)O
• IUPAC Name: 4-(4-hydroxyphenyl)cyclohexan-1-one
• InChIKey: SLJYPZJZQIHNGU-UHFFFAOYSA-N
• INCHI: 1S/C12H14O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-2,5-6,10,13H,3-4,7-8H2
• SMILES isoméricas: C1CC(=O)CCC1C2=CC=C(C=C2)O
• WGK Alemanha: 3
• Peso molecular: 190.24
• Beilstein: 3269332
• Reaxy-Rn: 3269332
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3269332&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Cyclohexylphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexylphenols
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Cyclic ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cyclohexylphenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descrição: 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

Alvos associados (humanos)

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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 170-175°C
• Peso molecular: 190.240 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 190.099 Da
• Monoisotopic Mass: 190.099 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 194.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

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

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

The CAS Number is 105640-07-1, the molecular formula is C12H14O2, and the molecular weight is 190.24 g/mol. InChIKey SLJYPZJZQIHNGU-UHFFFAOYSA-N.

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.