Benzeneethanol, alpha-methyl-, 1-acetate
TL;DR: Benzeneethanol, alpha-methyl-, 1-acetate (CAS 2114-33-2) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylpropan-2-yl acetate
Also Known As: 1-phenylpropan-2-yl acetate, 2-Acetoxy-1-phenylpropane, 1-methyl-2-phenylethyl acetate, Methylbenzylcarbinyl acetate, 1-Phenyl-2-propanol acetate
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 2114-33-2 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)OC(=O)C |
| InChIKey | LOHDWLZDQXQLJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneethanol, alpha-methyl-, 1-acetate (CAS 2114-33-2), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 1-phenylpropan-2-yl acetate.
Chemical Property Profile of Benzeneethanol, alpha-methyl-, 1-acetate
Property Insights of Benzeneethanol, alpha-methyl-, 1-acetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneethanol, alpha-methyl-, 1-acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Benzeneethanol, alpha-methyl-, 1-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneethanol, alpha-methyl-, 1-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 Benzeneethanol, alpha-methyl-, 1-acetate?
The CAS number of Benzeneethanol, alpha-methyl-, 1-acetate is 2114-33-2.
What is the molecular formula of Benzeneethanol, alpha-methyl-, 1-acetate?
The molecular formula of Benzeneethanol, alpha-methyl-, 1-acetate is C11H14O2.
What is the molecular weight of Benzeneethanol, alpha-methyl-, 1-acetate?
The molecular weight of Benzeneethanol, alpha-methyl-, 1-acetate is 178.10 g/mol.
Where can I buy Benzeneethanol, alpha-methyl-, 1-acetate?
You can request a quote for Benzeneethanol, alpha-methyl-, 1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneethanol, alpha-methyl-, 1-acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzeneethanol, alpha-methyl-, 1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.