4-(6-Hydroxyhexyloxy)-4'-methoxybiphenyl - ≥95% , CAS No.106869-53-8

CAS: 106869-53-8 Cat. No.: H157183 Summenformel: C₁₉H₂₄O₃ Molekulargewicht: 300.4

GRADE & PURITY ≥95%

Synonyms

A895734 | DTXSID90659920 | 6-[(4'-Methoxy[1,1'-biphenyl]-4-yl)oxy]hexan-1-ol | DZAPEPIBAAMUIJ-UHFFFAOYSA-N | 6-(4'-methoxybiphenyl-4-yloxy)hexan-1-ol | SCHEMBL1669006 | 4-methoxy-4'-(6-hydroxyhexyloxy)biphenyl | 4-methoxy-4'-(6-hydroxyhexyloxy)-biphenyl |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

A895734 | DTXSID90659920 | 6-[(4'-Methoxy[1,1'-biphenyl]-4-yl)oxy]hexan-1-ol | DZAPEPIBAAMUIJ-UHFFFAOYSA-N | 6-(4'-methoxybiphenyl-4-yloxy)hexan-1-ol | SCHEMBL1669006 | 4-methoxy-4'-(6-hydroxyhexyloxy)biphenyl | 4-methoxy-4'-(6-hydroxyhexyloxy)-biphenyl |

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

488201065

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488201065

Kanonisches Lächeln

COC1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCCO

IUPAC Name

6-[4-(4-methoxyphenyl)phenoxy]hexan-1-ol

InChIKey

DZAPEPIBAAMUIJ-UHFFFAOYSA-N

INCHI

1S/C19H24O3/c1-21-18-10-6-16(7-11-18)17-8-12-19(13-9-17)22-15-5-3-2-4-14-20/h6-13,20H,2-5,14-15H2,1H3

Isomere SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCCO

Molekulargewicht

300.4

Reaxy-Rn

13772794

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13772794&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Fatty alcohols Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Fatty alcohol - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Alkyl aryl ether - Fatty acyl - Ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 148 °C
• Molekulargewicht: 300.400 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 300.173 Da
• Monoisotopic Mass: 300.173 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 266.000
• 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