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

CAS: 105640-07-1 Cat. No.: H115510 Formula: C₁₂H₁₄O₂ Peso molecolare: 190.24 Beilstein Registry Number: 3269332 Numero EC: 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

Sinonimi

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

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488194922
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194922
• Sorrisi canonici: 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
• Isomeri SMILES: C1CC(=O)CCC1C2=CC=C(C=C2)O
• WGK Germania: 3
• Peso molecolare: 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
• Descrizione: 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

Obiettivi associati (umani)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 170-175°C
• Peso molecolare: 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

Domande frequenti

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.