5,6-Dimethoxy-2-phenylindole - ≥97% , CAS No.62663-26-7

CAS: 62663-26-7 Cat. No.: D331319 Summenformel: C₁₆H₁₅NO₂ Molekulargewicht: 253.3

GRADE & PURITY ≥97%

Synonyms

A833913 | Ethyl5-chloro-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylate | FT-0640845 | 5,6-DIMETHOXY-2-PHENYLINDOLE | 5,6-dimethoxy-2-phenyl-1H-indole | AKOS024318896 | D-4610 | DTXSID10398960

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

A833913 | Ethyl5-chloro-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylate | FT-0640845 | 5,6-DIMETHOXY-2-PHENYLINDOLE | 5,6-dimethoxy-2-phenyl-1H-indole | AKOS024318896 | D-4610 | DTXSID10398960

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504762824

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762824

Kanonisches Lächeln

COC1=C(C=C2C(=C1)C=C(N2)C3=CC=CC=C3)OC

IUPAC Name

5,6-dimethoxy-2-phenyl-1H-indole

InChIKey

VXTHRFKFXIWSTO-UHFFFAOYSA-N

INCHI

1S/C16H15NO2/c1-18-15-9-12-8-13(11-6-4-3-5-7-11)17-14(12)10-16(15)19-2/h3-10,17H,1-2H3

Isomere SMILES

COC1=C(C=C2C(=C1)C=C(N2)C3=CC=CC=C3)OC

Molekulargewicht

253.3

Reaxy-Rn

1537344

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1537344&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-phenylindoles
• Alternative Parents: Phenylpyrroles Anisoles Alkyl aryl ethers Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-phenylindole - 2-phenylpyrrole - Anisole - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Ether - Azacycle - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 2-phenylindoles. These are indoles substituted at the 2-position with a phenyl 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 253.290 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 253.11 Da
• Monoisotopic Mass: 253.11 Da
• Topological Polar Surface Area: 34.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 290.000
• 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