3-(4-Isobutylphenyl)prop-2-enoic acid
TL;DR: 3-(4-Isobutylphenyl)prop-2-enoic acid (CAS 1415604-30-6) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-(2-methylpropyl)phenyl]prop-2-enoic acid
Also Known As: 4-Isobutylcinnamic acid, 3-(4-isobutylphenyl)acrylic acid, 3-(4-isobutylphenyl)prop-2-enoic acid, 3-[4-(2-methylpropyl)phenyl]prop-2-enoic acid, (2E)-3-[4-(2-methylpropyl)phenyl]prop-2-enoic acid
Technical Specifications
| Molecular Formula | C13H16O2 |
| Molecular Weight | 204.11504 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.11504 Da |
| Heavy Atoms | 15 |
| Complexity | 223.0 |
| SMILES | CC(C)CC1=CC=C(C=C1)C=CC(=O)O |
| InChIKey | FFVQPPLMTMUAQD-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Isobutylphenyl)prop-2-enoic acid
Property Insights of 3-(4-Isobutylphenyl)prop-2-enoic acid
The XLogP value of 3.5 indicates that 3-(4-Isobutylphenyl)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 37.3 Ų, 3-(4-Isobutylphenyl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Isobutylphenyl)prop-2-enoic acid has 1 hydrogen bond donor(s) and 2 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-Isobutylphenyl)prop-2-enoic acid?
The CAS number of 3-(4-Isobutylphenyl)prop-2-enoic acid is 1415604-30-6.
What is the molecular formula of 3-(4-Isobutylphenyl)prop-2-enoic acid?
The molecular formula of 3-(4-Isobutylphenyl)prop-2-enoic acid is C13H16O2.
What is the molecular weight of 3-(4-Isobutylphenyl)prop-2-enoic acid?
The molecular weight of 3-(4-Isobutylphenyl)prop-2-enoic acid is 204.11504 g/mol.
Where can I buy 3-(4-Isobutylphenyl)prop-2-enoic acid?
You can request a quote for 3-(4-Isobutylphenyl)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-Isobutylphenyl)prop-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(4-Isobutylphenyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.