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

CAS: 106869-53-8 Cat. No.: H157183 Formula: C₁₉H₂₄O₃ Peso molecolare: 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

Sinonimi

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 |

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

488201065

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

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

Peso molecolare

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
    • Classe Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 148 °C
• Peso molecolare: 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