4-Acetoxybenzyl alcohol
TL;DR: 4-Acetoxybenzyl alcohol (CAS 6309-46-2) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(hydroxymethyl)phenyl] acetate
Also Known As: 4-acetoxybenzyl alcohol, p-Acetoxybenzyl alcohol, 4-(hydroxymethyl)phenyl acetate, [4-(hydroxymethyl)phenyl] acetate, Benzenemethanol, 4-(acetyloxy)-
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 6309-46-2 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)CO |
| InChIKey | FKMVNGWJGSSDCF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Acetoxybenzyl alcohol (CAS 6309-46-2), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: [4-(hydroxymethyl)phenyl] acetate.
Chemical Property Profile of 4-Acetoxybenzyl alcohol
Property Insights of 4-Acetoxybenzyl alcohol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetoxybenzyl alcohol. With a topological polar surface area (TPSA) of 46.5 Ų, 4-Acetoxybenzyl alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Acetoxybenzyl alcohol 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
Frequently Asked Questions
What is the CAS number of 4-Acetoxybenzyl alcohol?
The CAS number of 4-Acetoxybenzyl alcohol is 6309-46-2.
What is the molecular formula of 4-Acetoxybenzyl alcohol?
The molecular formula of 4-Acetoxybenzyl alcohol is C9H10O3.
What is the molecular weight of 4-Acetoxybenzyl alcohol?
The molecular weight of 4-Acetoxybenzyl alcohol is 166.06 g/mol.
Where can I buy 4-Acetoxybenzyl alcohol?
You can request a quote for 4-Acetoxybenzyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetoxybenzyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetoxybenzyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.