3-Hydroxymethyl-2-methylbiphenyl - ≥98% , CAS No.76350-90-8

CAS: 76350-90-8 Cat. No.: H156895 Peso molecular: 198.27 Número EC: 965-375-3

GRADE & PURITY ≥98%

Synonyms

AKOS015890329 | (2-Methyl-3-biphenylyl)methanol | AS-14208 | SCHEMBL358303 | (2-methylbiphenyl-3-yl)methanol | FT-0631215 | (1,1'-Biphenyl)-3-methanol, 2-methyl- | AC-23995 | 2-Methyl[1,1'-biphenyl]-3-methanol | Z104472774 | 2-Methyl-3-biphenylmethanol |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS015890329 | (2-Methyl-3-biphenylyl)methanol | AS-14208 | SCHEMBL358303 | (2-methylbiphenyl-3-yl)methanol | FT-0631215 | (1, 1'-Biphenyl)-3-methanol, 2-methyl- | AC-23995 | 2-Methyl[1, 1'-biphenyl]-3-methanol | Z104472774 | 2-Methyl-3-biphenylmethanol |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 528759231
• Sonrisas canónicas: CC1=C(C=CC=C1C2=CC=CC=C2)CO
• IUPAC Name: (2-methyl-3-phenylphenyl)methanol
• InChIKey: BGTLHJPGBIVQLJ-UHFFFAOYSA-N
• INCHI: 1S/C14H14O/c1-11-13(10-15)8-5-9-14(11)12-6-3-2-4-7-12/h2-9,15H,10H2,1H3
• Isómeros SMILES: CC1=C(C=CC=C1C2=CC=CC=C2)CO
• Peso molecular: 198.27
• Reaxy-Rn: 6800988
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6800988&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Benzyl alcohols Toluenes Primary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Benzyl alcohol - Toluene - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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)

CD274 Tclin Programmed cell death 1 ligand 1 (299 Activities)

Discover Target: CD274

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 72 °C
• Peso molecular: 198.260 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 198.104 Da
• Monoisotopic Mass: 198.104 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 184.000
• 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