2-Hydroxyethyl benzenebutanoate
TL;DR: 2-Hydroxyethyl benzenebutanoate (CAS 1027486-23-2) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxyethyl 4-phenylbutanoate
Also Known As: 2-Hydroxyethyl benzenebutanoate, 2-hydroxyethyl 4-phenylbutanoate, Benzenebutanoic acid, 2-hydroxyethyl ester, NR7DU74GEX
Technical Specifications
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.10994 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 208.10994 Da |
| Heavy Atoms | 15 |
| Complexity | 174.0 |
| SMILES | C1=CC=C(C=C1)CCCC(=O)OCCO |
| InChIKey | HIBHDHRNVQRODK-UHFFFAOYSA-N |
Chemical Property Profile of 2-Hydroxyethyl benzenebutanoate
Property Insights of 2-Hydroxyethyl benzenebutanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxyethyl benzenebutanoate. With a topological polar surface area (TPSA) of 46.5 Ų, 2-Hydroxyethyl benzenebutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxyethyl benzenebutanoate 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 2-Hydroxyethyl benzenebutanoate?
The CAS number of 2-Hydroxyethyl benzenebutanoate is 1027486-23-2.
What is the molecular formula of 2-Hydroxyethyl benzenebutanoate?
The molecular formula of 2-Hydroxyethyl benzenebutanoate is C12H16O3.
What is the molecular weight of 2-Hydroxyethyl benzenebutanoate?
The molecular weight of 2-Hydroxyethyl benzenebutanoate is 208.10994 g/mol.
Where can I buy 2-Hydroxyethyl benzenebutanoate?
You can request a quote for 2-Hydroxyethyl benzenebutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Hydroxyethyl benzenebutanoate?
Yes, CoreyChem provides custom synthesis services for 2-Hydroxyethyl benzenebutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.