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4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]phenol structure
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4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]phenol

TL;DR: 4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]phenol (CAS 116519-00-7) is a chemical compound with molecular formula C17H18O4 and molecular weight 286.1205 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol

Also Known As: (E)-4-(3,4,5-Trimethoxystyryl)phenol, 4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol, 4'-Hydroxy-3,4,5-trimethoxystilbene, NCI60_010237, 4-[2-(3,4,5-trimethoxyphenyl)vinyl]phenol

CAS Number
116519-00-7
Molecular Formula
C17H18O4
Molecular Weight
286.1205 g/mol
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Application Areas

Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (4 patents) Organic Building Blocks (13 patents) Organometallic Reagents (2 patents) Pharmaceutical Intermediates (8 patents)

Technical Specifications

Molecular FormulaC17H18O4
Molecular Weight286.1205 g/mol
XLogP3.8
Topological Polar Surface Area (TPSA)47.9 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors4
Rotatable Bonds5
Exact Mass286.1205 Da
Heavy Atoms21
Complexity309.0
SMILESCOC1=CC(=CC(=C1OC)OC)C=CC2=CC=C(C=C2)O
InChIKeyPGNACKMMQGBVTN-UHFFFAOYSA-N

Chemical Property Profile of 4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]phenol

XLogP
3.8
TPSA (Topological Polar Surface Area)
47.9
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
Rotatable Bonds
5
Heavy Atoms
21
Complexity
309.0
Exact Mass
286.1205
Monoisotopic Mass
286.1205
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]phenol

The XLogP value of 3.8 indicates that 4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, 4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]phenol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]phenol?

The CAS number of 4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]phenol is 116519-00-7.

What is the molecular formula of 4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]phenol?

The molecular formula of 4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]phenol is C17H18O4.

What is the molecular weight of 4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]phenol?

The molecular weight of 4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]phenol is 286.1205 g/mol.

Where can I buy 4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]phenol?

You can request a quote for 4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]phenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]phenol?

Yes, CoreyChem provides custom synthesis services for 4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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