2-Phenoxyphenol - ≥97% , CAS No.2417-10-9

CAS: 2417-10-9 Cat. No.: P192246 Molecular Weight: 186.21 PubChem CID: 75491

GRADE & PURITY ≥97%

Synonyms

A918766 | CAA41710 | CHEBI:39261 | UNII-KVI8N9886N | 2-Phenoxyphenol | 2-Phenoxy-phenol | 2-HYDROXYPHENYL PHENYL ETHER | P-2980 | Phenol,2-phenoxy- | Stearic acid, butyl ester | AKOS005084057 | Phenol, 2-phenoxy- | HMS1367J11 | KVI8N9886N | N-2-PROPENYL-2

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

A918766 | CAA41710 | CHEBI:39261 | UNII-KVI8N9886N | 2-Phenoxyphenol | 2-Phenoxy-phenol | 2-HYDROXYPHENYL PHENYL ETHER | P-2980 | Phenol, 2-phenoxy- | Stearic acid, butyl ester | AKOS005084057 | Phenol, 2-phenoxy- | HMS1367J11 | KVI8N9886N | N-2-PROPENYL-2

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488185112
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185112
• Canonical Smiles: C1=CC=C(C=C1)OC2=CC=CC=C2O
• IUPAC Name: 2-phenoxyphenol
• InChIKey: KDTZBYPBMTXCSO-UHFFFAOYSA-N
• INCHI: 1S/C12H10O2/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,13H
• Isomeric SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2O
• PubChem CID: 75491
• Molecular Weight: 186.21

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• External Descriptors: phenoxyphenol

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)

FABP2 Tchem Fatty acid binding protein intestinal (28 Activities)

Discover Target: FABP2

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

Associated Targets(non-human)

fabI Enoyl-[acyl-carrier-protein] reductase (206 Activities)

Discover Target: fabI

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

Staphylococcus aureus (210822 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

• Molecular Weight: 186.210 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 186.068 Da
• Monoisotopic Mass: 186.068 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 164.000
• 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. Bingzhi Yu, Wen Yan, Yunjuan Meng, Yinan Zhang, Xizi Li, Yan Li, Yuchi Zhong, Jiafeng Ding, Hangjun Zhang.  (2022)  Selected dechlorination of triclosan by high-performance g-C3N4/Bi2MoO6 composites: Mechanisms and pathways.  CHEMOSPHERE,      [PMID:36414036] [10.1016/j.chemosphere.2022.137247]