Phenethyl alcohol, m-chloro-, acetate
TL;DR: Phenethyl alcohol, m-chloro-, acetate (CAS 33709-41-0) is a chemical compound with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chlorophenyl)ethyl acetate
Also Known As: 3-Chlorophenethyl acetate, 2-(3-chlorophenyl)ethyl acetate, 3-Chlorophenethylacetate, Phenethyl alcohol, m-chloro-, acetate, Phenethyl alcohol,m-chloro-,acetate
| Molecular Formula | C10H11ClO2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.04475 |
| Heavy Atoms | 13 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 33709-41-0 |
|---|---|
| SMILES | CC(=O)OCCC1=CC(=CC=C1)Cl |
| InChIKey | AINURQUNOQXLRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenethyl alcohol, m-chloro-, acetate (CAS 33709-41-0), with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol. IUPAC: 2-(3-chlorophenyl)ethyl acetate.
Chemical Property Profile of Phenethyl alcohol, m-chloro-, acetate
Property Insights of Phenethyl alcohol, m-chloro-, acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenethyl alcohol, m-chloro-, acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Phenethyl alcohol, m-chloro-, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethyl alcohol, m-chloro-, acetate 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
Frequently Asked Questions
What is the CAS number of Phenethyl alcohol, m-chloro-, acetate?
The CAS number of Phenethyl alcohol, m-chloro-, acetate is 33709-41-0.
What is the molecular formula of Phenethyl alcohol, m-chloro-, acetate?
The molecular formula of Phenethyl alcohol, m-chloro-, acetate is C10H11ClO2.
What is the molecular weight of Phenethyl alcohol, m-chloro-, acetate?
The molecular weight of Phenethyl alcohol, m-chloro-, acetate is 198.04 g/mol.
Where can I buy Phenethyl alcohol, m-chloro-, acetate?
You can request a quote for Phenethyl alcohol, m-chloro-, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenethyl alcohol, m-chloro-, acetate?
Yes, KEHONG BIO provides custom synthesis services for Phenethyl alcohol, m-chloro-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.