1,1-Bis(4-hydroxyphenyl)-2-phenyl-1-butene - ≥95% , CAS No.91221-46-4

CAS: 91221-46-4 Cat. No.: B405209 Molecular Weight: 316.4

GRADE & PURITY ≥95%

Synonyms

4,4''-(2-phenylbut-1-ene-1,1-diyl)diphenol | 4,4'-(2-phenylbut-1-ene-1,1-diyl)diphenol | 4,4-(2-Phenylbut-1-ene-1,1-diyl)diphenol | 4-[1-(4-HYDROXYPHENYL)-2-PHENYLBUT-1-EN-1-YL]PHENOL | BDBM50121317 | 1,1-Bhpe | B5114 | MFCD00870103 | Tamoxifen bis-phenol

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

4, 4''-(2-phenylbut-1-ene-1, 1-diyl)diphenol | 4, 4'-(2-phenylbut-1-ene-1, 1-diyl)diphenol | 4, 4-(2-Phenylbut-1-ene-1, 1-diyl)diphenol | 4-[1-(4-HYDROXYPHENYL)-2-PHENYLBUT-1-EN-1-YL]PHENOL | BDBM50121317 | 1, 1-Bhpe | B5114 | MFCD00870103 | Tamoxifen bis-phenol

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O)C3=CC=CC=C3
• IUPAC Name: 4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenol
• InChIKey: BPKSDMHGDYTXLI-UHFFFAOYSA-N
• INCHI: 1S/C22H20O2/c1-2-21(16-6-4-3-5-7-16)22(17-8-12-19(23)13-9-17)18-10-14-20(24)15-11-18/h3-15,23-24H,2H2,1H3
• Isomeric SMILES: CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O)C3=CC=CC=C3
• Molecular Weight: 316.4
• Reaxy-Rn: 5072245
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5072245&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Diphenylmethanes Phenylpropanes 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Diphenylmethane - 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 stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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)

ESR1 Tclin Estrogen receptor (5 Activities)

Discover Target: ESR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

CYP19A1 Tclin Cytochrome P450 19A1 (6099 Activities)

Discover Target: CYP19A1

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

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

Associated Targets(non-human)

Mus musculus (284745 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

• Sensitivity: Light Sensitive,Air Sensitive
• Melt Point(°C): 202 °C
• Molecular Weight: 316.400 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 316.146 Da
• Monoisotopic Mass: 316.146 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 382.000
• 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. Xinyu Hu, Hongli Xie, Hao Wang, Liguo Shen, Renjie Li, Hongjun Lin, Leihong Zhao, Genying Yu.  (2025)  Enhancing oil/water emulsion separation with inkjet printed beetle-inspired zeolitic imidazolate framework-67 modified membranes.  DESALINATION,      [PMID:] [10.1016/j.desal.2025.118729]

2. Minghui Jiang, Xiao Liu, Shiyu Li, Yurui Xu, Simai Wang, Lei Lu, Xinxin Li, Xinru Sun, Chunlei Xia, Ziming Wang, Suping Cui.  (2025)  New insights into the improvement of volume stability: Plant polyphenol modified calcium silicate hydrate (C-S-H).  CEMENT AND CONCRETE RESEARCH,      [PMID:] [10.1016/j.cemconres.2025.107828]

3. Yuan Tian, Pan Wu, Xiong Yang, Yafei Shi, Gary Owens, Kewu Pi.  (2025)  Tailored Iron–Polyphenol interfacial networks in bio-based aerogels for solar-driven desalination with life cycle assessment Insights.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.135118]