Methyl 3-(4-ethylphenyl)benzoate
TL;DR: Methyl 3-(4-ethylphenyl)benzoate (CAS 1049118-09-3) is a chemical compound with molecular formula C16H16O2 and molecular weight 240.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-(4-ethylphenyl)benzoate
Also Known As: methyl 3-(4-ethylphenyl)benzoate, methyl3-(4-ethylphenyl)benzoate
Technical Specifications
| Molecular Formula | C16H16O2 |
| Molecular Weight | 240.11504 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.11504 Da |
| Heavy Atoms | 18 |
| Complexity | 266.0 |
| SMILES | CCC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)OC |
| InChIKey | ITVCKBYOHRUJPB-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-(4-ethylphenyl)benzoate
Property Insights of Methyl 3-(4-ethylphenyl)benzoate
The XLogP value of 4.8 indicates that Methyl 3-(4-ethylphenyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-(4-ethylphenyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(4-ethylphenyl)benzoate has 0 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 Methyl 3-(4-ethylphenyl)benzoate?
The CAS number of Methyl 3-(4-ethylphenyl)benzoate is 1049118-09-3.
What is the molecular formula of Methyl 3-(4-ethylphenyl)benzoate?
The molecular formula of Methyl 3-(4-ethylphenyl)benzoate is C16H16O2.
What is the molecular weight of Methyl 3-(4-ethylphenyl)benzoate?
The molecular weight of Methyl 3-(4-ethylphenyl)benzoate is 240.11504 g/mol.
Where can I buy Methyl 3-(4-ethylphenyl)benzoate?
You can request a quote for Methyl 3-(4-ethylphenyl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-(4-ethylphenyl)benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-(4-ethylphenyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.