4-(cis-4-Hydroxycyclohexyl)phenol - ≥97% , CAS No.370860-74-5

CAS: 370860-74-5 Cat. No.: C153607 分子式: C₁₂H₁₆O₂ 分子量: 192.26 EC番号: 805-847-7

GRADE & PURITY ≥97%

Synonyms

LSVLMFBVUQQWOQ-UHFFFAOYSA-N | MFCD03093649 | LSVLMFBVUQQWOQ-UMSPYCQHSA-N | SCHEMBL605342 | trans-4-(4-hydroxycyclohexyl)phenol | AKOS024389670 | 4-(4-hydroxycyclohexyl)phenol | 4-(4-Hydroxy-cyclohexyl)-phenol | p-(trans-4-hydroxycyclohexyl)phenol | 4-(cis

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

LSVLMFBVUQQWOQ-UHFFFAOYSA-N | MFCD03093649 | LSVLMFBVUQQWOQ-UMSPYCQHSA-N | SCHEMBL605342 | trans-4-(4-hydroxycyclohexyl)phenol | AKOS024389670 | 4-(4-hydroxycyclohexyl)phenol | 4-(4-Hydroxy-cyclohexyl)-phenol | p-(trans-4-hydroxycyclohexyl)phenol | 4-(cis

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

• パブケム・シド: 488196569
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488196569
• カノニカル・スマイル: C1CC(CCC1C2=CC=C(C=C2)O)O
• IUPAC Name: 4-(4-hydroxycyclohexyl)phenol
• InChIKey: LSVLMFBVUQQWOQ-UHFFFAOYSA-N
• INCHI: 1S/C12H16O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-2,5-6,10,12-14H,3-4,7-8H2
• 異性体SMILES: C1CC(CCC1C2=CC=C(C=C2)O)O
• 分子量: 192.26
• Reaxy-Rn: 3263172
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3263172&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Cyclohexylphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexylphenols
• Alternative Parents: Cyclohexanols 1-hydroxy-2-unsubstituted benzenoids Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cyclohexylphenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Cyclohexanol - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• 説明: 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

関連ターゲット（人間）

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

作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 209 °C
• 分子量: 192.250 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 192.115 Da
• Monoisotopic Mass: 192.115 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 165.000
• 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