Benzenemethanol, 4-(acetyloxy)-alpha-methyl-
TL;DR: Benzenemethanol, 4-(acetyloxy)-alpha-methyl- (CAS 53744-50-6) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1-hydroxyethyl)phenyl] acetate
Also Known As: 4-(1-hydroxyethyl)phenyl acetate, 4-Acetoxyphenyl methyl carbinol, [4- phenyl]acetate, [4-(1-hydroxyethyl)phenyl] acetate, (p-Acetoxyphenyl)methyl carbinol
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 53744-50-6 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)OC(=O)C)O |
| InChIKey | VZOVSXXHXIMTQX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenemethanol, 4-(acetyloxy)-alpha-methyl- (CAS 53744-50-6), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: [4-(1-hydroxyethyl)phenyl] acetate.
Chemical Property Profile of Benzenemethanol, 4-(acetyloxy)-alpha-methyl-
Property Insights of Benzenemethanol, 4-(acetyloxy)-alpha-methyl-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanol, 4-(acetyloxy)-alpha-methyl-. With a topological polar surface area (TPSA) of 46.5 Ų, Benzenemethanol, 4-(acetyloxy)-alpha-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanol, 4-(acetyloxy)-alpha-methyl- 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 Benzenemethanol, 4-(acetyloxy)-alpha-methyl-?
The CAS number of Benzenemethanol, 4-(acetyloxy)-alpha-methyl- is 53744-50-6.
What is the molecular formula of Benzenemethanol, 4-(acetyloxy)-alpha-methyl-?
The molecular formula of Benzenemethanol, 4-(acetyloxy)-alpha-methyl- is C10H12O3.
What is the molecular weight of Benzenemethanol, 4-(acetyloxy)-alpha-methyl-?
The molecular weight of Benzenemethanol, 4-(acetyloxy)-alpha-methyl- is 180.08 g/mol.
Where can I buy Benzenemethanol, 4-(acetyloxy)-alpha-methyl-?
You can request a quote for Benzenemethanol, 4-(acetyloxy)-alpha-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanol, 4-(acetyloxy)-alpha-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanol, 4-(acetyloxy)-alpha-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.