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2,2-Bis(2-hydroxy-5-biphenylyl)propane - 98%, high purity , CAS No.24038-68-4
Basic Description
Synonyms
Bisphenol PH, analytical standard | NCGC00357017-01 | DTXSID9058654 | Tox21_303963 | 5,5'-Isopropylidenebis(2-hydroxybiphenyl) | DS-13671 | 4,4'-Isopropylidenebis(2-phenylphenol) | SCHEMBL17376966 | 4-[2-(4-oxidanyl-3-phenyl-phenyl)propan-2-yl]-2-phenyl-p
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Diarylheptanoids
Subclass
Linear diarylheptanoids
Intermediate Tree Nodes
Not available
Direct Parent
Linear diarylheptanoids
Alternative Parents
Bisphenols Biphenyls and derivatives Phenylpropanes 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Bisphenol - Diphenylmethane - Biphenyl - Phenylpropane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504767321
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504767321
IUPAC Name
4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol
INCHI
InChI=1S/C27H24O2/c1-27(2,21-13-15-25(28)23(17-21)19-9-5-3-6-10-19)22-14-16-26(29)24(18-22)20-11-7-4-8-12-20/h3-18,28-29H,1-2H3
InChIKey
BKTRENAPTCBBFA-UHFFFAOYSA-N
Smiles
CC(C)(C1=CC(=C(C=C1)O)C2=CC=CC=C2)C3=CC(=C(C=C3)O)C4=CC=CC=C4
Isomeric SMILES
CC(C)(C1=CC(=C(C=C1)O)C2=CC=CC=C2)C3=CC(=C(C=C3)O)C4=CC=CC=C4
Molecular Weight
380.49
Reaxy-Rn
5117041
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5117041&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in Methanol
Melt Point(°C)
118°C
Molecular Weight
380.500 g/mol
XLogP3
7.300
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
380.178 Da
Monoisotopic Mass
380.178 Da
Topological Polar Surface Area
40.500 Ų
Heavy Atom Count
29
Formal Charge
0
Complexity
459.000
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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K1828056