4-Hydroxy-4'-methoxybiphenyl - ≥95% , CAS No.16881-71-3

CAS: 16881-71-3 Cat. No.: H157181 Molecular Weight: 200.24 Beilstein Registry Number: 6(4)6651

GRADE & PURITY ≥95%

Synonyms

MFCD00191514 | BDBM50376220 | SCHEMBL1341494 | 4-HYDROXY-4/'-METHOXYBIPHENYL | BB 0223352 | DTXSID30349358 | AS-61356 | H0819 | 4-p-Methoxyphenylphenol | CORJIEYQXMZUIW-UHFFFAOYSA-N | AKOS002679516 | [1,1'-Biphenyl]-4-ol, 4'-methoxy- | GTPL6527 | 4'-metho

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

MFCD00191514 | BDBM50376220 | SCHEMBL1341494 | 4-HYDROXY-4/'-METHOXYBIPHENYL | BB 0223352 | DTXSID30349358 | AS-61356 | H0819 | 4-p-Methoxyphenylphenol | CORJIEYQXMZUIW-UHFFFAOYSA-N | AKOS002679516 | [1,1'-Biphenyl]-4-ol, 4'-methoxy- | GTPL6527 | 4'-metho

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504765912
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765912
• Canonical Smiles: COC1=CC=C(C=C1)C2=CC=C(C=C2)O
• IUPAC Name: 4-(4-methoxyphenyl)phenol
• InChIKey: CORJIEYQXMZUIW-UHFFFAOYSA-N
• INCHI: 1S/C13H12O2/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9,14H,1H3
• Isomeric SMILES: COC1=CC=C(C=C1)C2=CC=C(C=C2)O
• Molecular Weight: 200.24
• Beilstein: 6(4)6651
• Reaxy-Rn: 2046321
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2046321&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: 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

Associated Targets(Human)

ESR2 Tclin Estrogen receptor beta (9272 Activities)

Discover Target: ESR2

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

HT-29 (80576 Activities)

Explore this target

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

MCF7 (126967 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 181 °C
• Molecular Weight: 200.230 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 200.084 Da
• Monoisotopic Mass: 200.084 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 177.000
• 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

References

1. Xun Yuan, Chaocan Zhang, Minli Xie, Xi Li.  (2019)  Spatially ordered chelating resin based on liquid‐crystal phase with highly selective removal of metal ions.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2019.124235]