Acetic acid, (o-1-butenylphenoxy)-
TL;DR: Acetic acid, (o-1-butenylphenoxy)- (CAS 5456-50-8) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(E)-but-1-enyl]phenoxy]acetic acid
Also Known As: Acetic acid, (o-1-butenylphenoxy)-, Acetic acid, [o-(1-butenyl)phenoxy]-, 2-[2-[(E)-but-1-enyl]phenoxy]acetic acid, {2-[(1E)-But-1-en-1-yl]phenoxy}acetic acid
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.5732 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 355.6398 |
Chemical Identifiers
| CAS Number | 5456-50-8 |
|---|---|
| SMILES | CC/C=C/C1=CC=CC=C1OCC(=O)O |
Product Overview
Acetic acid, (o-1-butenylphenoxy)- (CAS 5456-50-8), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: 2-[2-[(E)-but-1-enyl]phenoxy]acetic acid.
Chemical Property Profile of Acetic acid, (o-1-butenylphenoxy)-
Property Insights of Acetic acid, (o-1-butenylphenoxy)-
The XLogP value of 2.5732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, (o-1-butenylphenoxy)-. With a topological polar surface area (TPSA) of 46.53 Ų, Acetic acid, (o-1-butenylphenoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, (o-1-butenylphenoxy)- has 1 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 Acetic acid, (o-1-butenylphenoxy)-?
The CAS number of Acetic acid, (o-1-butenylphenoxy)- is 5456-50-8.
What is the molecular formula of Acetic acid, (o-1-butenylphenoxy)-?
The molecular formula of Acetic acid, (o-1-butenylphenoxy)- is C12H14O3.
What is the molecular weight of Acetic acid, (o-1-butenylphenoxy)-?
The molecular weight of Acetic acid, (o-1-butenylphenoxy)- is 206.09 g/mol.
Where can I buy Acetic acid, (o-1-butenylphenoxy)-?
You can request a quote for Acetic acid, (o-1-butenylphenoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (o-1-butenylphenoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (o-1-butenylphenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.