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

CAS: 370860-74-5 Cat. No.: C153607 Formule: C₁₂H₁₆O₂ Poids moléculaire: 192.26 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 488196569
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196569
• Sourires canoniques: 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
• Isomères SMILES: C1CC(CCC1C2=CC=C(C=C2)O)O
• Poids moléculaire: 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
    • 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: 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
• Description: 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

Cibles associées (humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 209 °C
• Poids moléculaire: 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