GRADE & PURITY ≥98%

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

Storage

Room temperature

Shipped In

Normal

Specifications

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%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504767321
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767321
• Canonical Smiles: CC(C)(C1=CC(=C(C=C1)O)C2=CC=CC=C2)C3=CC(=C(C=C3)O)C4=CC=CC=C4
• IUPAC Name: 4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol
• InChIKey: BKTRENAPTCBBFA-UHFFFAOYSA-N
• 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
• 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Diarylheptanoids
      • Subclass Linear diarylheptanoids

• 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.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

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