3-Ethoxyphenyl acetate
TL;DR: 3-Ethoxyphenyl acetate (CAS 151360-54-2) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-ethoxyphenyl) acetate
Also Known As: 3-Ethoxyphenyl acetate, (3-ethoxyphenyl) acetate, Acetic acid 3-ethoxyphenyl ester, Acetic acid, 3-ethoxyphenyl ester, J1.600.592D
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.07864 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.07864 Da |
| Heavy Atoms | 13 |
| Complexity | 168.0 |
| SMILES | CCOC1=CC(=CC=C1)OC(=O)C |
| InChIKey | BBVXELBTPWKDAO-UHFFFAOYSA-N |
Chemical Property Profile of 3-Ethoxyphenyl acetate
Property Insights of 3-Ethoxyphenyl acetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethoxyphenyl acetate. With a topological polar surface area (TPSA) of 35.5 Ų, 3-Ethoxyphenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethoxyphenyl acetate has 0 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-Ethoxyphenyl acetate?
The CAS number of 3-Ethoxyphenyl acetate is 151360-54-2.
What is the molecular formula of 3-Ethoxyphenyl acetate?
The molecular formula of 3-Ethoxyphenyl acetate is C10H12O3.
What is the molecular weight of 3-Ethoxyphenyl acetate?
The molecular weight of 3-Ethoxyphenyl acetate is 180.07864 g/mol.
Where can I buy 3-Ethoxyphenyl acetate?
You can request a quote for 3-Ethoxyphenyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Ethoxyphenyl acetate?
Yes, CoreyChem provides custom synthesis services for 3-Ethoxyphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.