3-(3-Methylphenoxy)-2-butanone
TL;DR: 3-(3-Methylphenoxy)-2-butanone (CAS 6560-02-7) 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.
3-(3-methylphenoxy)butan-2-one
Also Known As: 3-(3-methylphenoxy)-2-butanone, 3-(3-methylphenoxy)butan-2-one, 2-Butanone, 3-(m-tolyloxy)-, 12K-007
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.35132 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 304.71353 |
Chemical Identifiers
| CAS Number | 6560-02-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC(C)C(=O)C |
Product Overview
3-(3-Methylphenoxy)-2-butanone (CAS 6560-02-7), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 3-(3-methylphenoxy)butan-2-one.
Chemical Property Profile of 3-(3-Methylphenoxy)-2-butanone
Property Insights of 3-(3-Methylphenoxy)-2-butanone
The XLogP value of 2.35132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Methylphenoxy)-2-butanone. With a topological polar surface area (TPSA) of 26.3 Ų, 3-(3-Methylphenoxy)-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Methylphenoxy)-2-butanone 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 3-(3-Methylphenoxy)-2-butanone?
The CAS number of 3-(3-Methylphenoxy)-2-butanone is 6560-02-7.
What is the molecular formula of 3-(3-Methylphenoxy)-2-butanone?
The molecular formula of 3-(3-Methylphenoxy)-2-butanone is C11H14O2.
What is the molecular weight of 3-(3-Methylphenoxy)-2-butanone?
The molecular weight of 3-(3-Methylphenoxy)-2-butanone is 178.10 g/mol.
Where can I buy 3-(3-Methylphenoxy)-2-butanone?
You can request a quote for 3-(3-Methylphenoxy)-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Methylphenoxy)-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Methylphenoxy)-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.