Phenol, 2,6-dimethyl-, 1-acetate
TL;DR: Phenol, 2,6-dimethyl-, 1-acetate (CAS 876-98-2) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-dimethylphenyl) acetate
Also Known As: 2,6-dimethylphenyl acetate, 2,6-Xylyl acetate, 2,6-Dimethyl-1-acetoxybenzene, Phenol, 2,6-dimethyl-, acetate, 2,6-xylylacetate
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 876-98-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OC(=O)C |
| InChIKey | UDDBRJGGGUMTQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 2,6-dimethyl-, 1-acetate (CAS 876-98-2), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: (2,6-dimethylphenyl) acetate.
Chemical Property Profile of Phenol, 2,6-dimethyl-, 1-acetate
Property Insights of Phenol, 2,6-dimethyl-, 1-acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 2,6-dimethyl-, 1-acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Phenol, 2,6-dimethyl-, 1-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 2,6-dimethyl-, 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 Phenol, 2,6-dimethyl-, 1-acetate?
The CAS number of Phenol, 2,6-dimethyl-, 1-acetate is 876-98-2.
What is the molecular formula of Phenol, 2,6-dimethyl-, 1-acetate?
The molecular formula of Phenol, 2,6-dimethyl-, 1-acetate is C10H12O2.
What is the molecular weight of Phenol, 2,6-dimethyl-, 1-acetate?
The molecular weight of Phenol, 2,6-dimethyl-, 1-acetate is 164.08 g/mol.
Where can I buy Phenol, 2,6-dimethyl-, 1-acetate?
You can request a quote for Phenol, 2,6-dimethyl-, 1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 2,6-dimethyl-, 1-acetate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2,6-dimethyl-, 1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.