(O-Butylphenoxy)acetic acid
TL;DR: (O-Butylphenoxy)acetic acid (CAS 102167-36-2) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-butylphenoxy)acetic acid
Also Known As: (2-Butylphenoxy)acetic acid, (O-Butylphenoxy)acetic acid, (2-butyl-phenoxy)-acetic acid, 2-(2-butylphenoxy)acetic acid, (2-Butylphenoxy)acetic acid #
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 102167-36-2 |
|---|---|
| SMILES | CCCCC1=CC=CC=C1OCC(=O)O |
| InChIKey | APIOACZJBZKBFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(O-Butylphenoxy)acetic acid (CAS 102167-36-2), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 2-(2-butylphenoxy)acetic acid.
Chemical Property Profile of (O-Butylphenoxy)acetic acid
Property Insights of (O-Butylphenoxy)acetic acid
The XLogP value of 3.6 indicates that (O-Butylphenoxy)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, (O-Butylphenoxy)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (O-Butylphenoxy)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 (O-Butylphenoxy)acetic acid?
The CAS number of (O-Butylphenoxy)acetic acid is 102167-36-2.
What is the molecular formula of (O-Butylphenoxy)acetic acid?
The molecular formula of (O-Butylphenoxy)acetic acid is C12H16O3.
What is the molecular weight of (O-Butylphenoxy)acetic acid?
The molecular weight of (O-Butylphenoxy)acetic acid is 208.11 g/mol.
Where can I buy (O-Butylphenoxy)acetic acid?
You can request a quote for (O-Butylphenoxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (O-Butylphenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (O-Butylphenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.