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[1，1’:3’，1’’-Terphenyl]-4，4’’-Diol - ≥97%, high purity , CAS No.124526-56-3
Basic Description
Specifications & Purity
≥97%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Terphenyls
Intermediate Tree Nodes
Not available
Direct Parent
M-terphenyls
Alternative Parents
Biphenyls and derivatives 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Meta-terphenyl - Biphenyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-terphenyls. These are terphenyls with a structure containing the 1,3-diphenylbenzene skeleton.
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
4-[3-(4-hydroxyphenyl)phenyl]phenol
INCHI
InChI=1S/C18H14O2/c19-17-8-4-13(5-9-17)15-2-1-3-16(12-15)14-6-10-18(20)11-7-14/h1-12,19-20H
InChIKey
JEOMZHWGIQNWFN-UHFFFAOYSA-N
Smiles
C1=CC(=CC(=C1)C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
Isomeric SMILES
C1=CC(=CC(=C1)C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
Alternate CAS
124526-56-3
PubChem CID
667696
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
262.300 g/mol
XLogP3
4.500
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
262.099 Da
Monoisotopic Mass
262.099 Da
Topological Polar Surface Area
40.500 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
260.000
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
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