(2,6-Dimethylphenoxy)acetic acid
TL;DR: (2,6-Dimethylphenoxy)acetic acid (CAS 13335-71-2) 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.
2-(2,6-dimethylphenoxy)acetic acid
Also Known As: 2,6-Dimethylphenoxyacetic acid, 2-(2,6-dimethylphenoxy)acetic acid, (2,6-Dimethylphenoxy)acetic acid, (2,6-DIMETHYL-PHENOXY)-ACETIC ACID, (2,6-xylyloxy) acetic acid
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 2.6 |
| 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 | 169.0 |
Chemical Identifiers
| CAS Number | 13335-71-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OCC(=O)O |
| InChIKey | MLBCURLNKYKBEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,6-Dimethylphenoxy)acetic acid (CAS 13335-71-2), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: 2-(2,6-dimethylphenoxy)acetic acid.
Chemical Property Profile of (2,6-Dimethylphenoxy)acetic acid
Property Insights of (2,6-Dimethylphenoxy)acetic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,6-Dimethylphenoxy)acetic acid. With a topological polar surface area (TPSA) of 46.5 Ų, (2,6-Dimethylphenoxy)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,6-Dimethylphenoxy)acetic acid 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 (2,6-Dimethylphenoxy)acetic acid?
The CAS number of (2,6-Dimethylphenoxy)acetic acid is 13335-71-2.
What is the molecular formula of (2,6-Dimethylphenoxy)acetic acid?
The molecular formula of (2,6-Dimethylphenoxy)acetic acid is C10H12O3.
What is the molecular weight of (2,6-Dimethylphenoxy)acetic acid?
The molecular weight of (2,6-Dimethylphenoxy)acetic acid is 180.08 g/mol.
Where can I buy (2,6-Dimethylphenoxy)acetic acid?
You can request a quote for (2,6-Dimethylphenoxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,6-Dimethylphenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2,6-Dimethylphenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.