3-(4-Pentoxyphenyl)prop-2-enoic acid
TL;DR: 3-(4-Pentoxyphenyl)prop-2-enoic acid (CAS 108113-57-1) is a chemical compound with molecular formula C14H18O3 and molecular weight 234.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-pentoxyphenyl)prop-2-enoic acid
Also Known As: p-Pentyloxycinnamic acid, 4-pentyloxycinnamic acid, 3-(4-pentoxyphenyl)prop-2-enoic acid, 3-(4-(Pentyloxy)phenyl)acrylic acid, (E)-3-(4-pentoxyphenyl)prop-2-enoic acid
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H18O3 |
| Molecular Weight | 234.1256 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 234.1256 Da |
| Heavy Atoms | 17 |
| Complexity | 240.0 |
| SMILES | CCCCCOC1=CC=C(C=C1)C=CC(=O)O |
| InChIKey | WXPBGFBUVHLMSK-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Pentoxyphenyl)prop-2-enoic acid
Property Insights of 3-(4-Pentoxyphenyl)prop-2-enoic acid
The XLogP value of 3.6 indicates that 3-(4-Pentoxyphenyl)prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3-(4-Pentoxyphenyl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Pentoxyphenyl)prop-2-enoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(4-Pentoxyphenyl)prop-2-enoic acid?
The CAS number of 3-(4-Pentoxyphenyl)prop-2-enoic acid is 108113-57-1.
What is the molecular formula of 3-(4-Pentoxyphenyl)prop-2-enoic acid?
The molecular formula of 3-(4-Pentoxyphenyl)prop-2-enoic acid is C14H18O3.
What is the molecular weight of 3-(4-Pentoxyphenyl)prop-2-enoic acid?
The molecular weight of 3-(4-Pentoxyphenyl)prop-2-enoic acid is 234.1256 g/mol.
Where can I buy 3-(4-Pentoxyphenyl)prop-2-enoic acid?
You can request a quote for 3-(4-Pentoxyphenyl)prop-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Pentoxyphenyl)prop-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(4-Pentoxyphenyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.