1-(3-Isopropoxyphenyl)ethanone
TL;DR: 1-(3-Isopropoxyphenyl)ethanone (CAS 114591-30-9) 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.
1-(3-propan-2-yloxyphenyl)ethanone
Also Known As: 1-(3-isopropoxyphenyl)ethanone, 1-(3-propan-2-yloxyphenyl)ethanone, 3'-iso-Propoxyacetophenone, Ethanone, 1-[3-(1-methylethoxy)phenyl]-, Ethanone,1-[3-(1-methylethoxy)phenyl]-
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.6764 |
| 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 | 302.71353 |
Chemical Identifiers
| CAS Number | 114591-30-9 |
|---|---|
| SMILES | CC(C)OC1=CC=CC(=C1)C(=O)C |
Product Overview
1-(3-Isopropoxyphenyl)ethanone (CAS 114591-30-9), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 1-(3-propan-2-yloxyphenyl)ethanone.
Chemical Property Profile of 1-(3-Isopropoxyphenyl)ethanone
Property Insights of 1-(3-Isopropoxyphenyl)ethanone
The XLogP value of 2.6764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Isopropoxyphenyl)ethanone. With a topological polar surface area (TPSA) of 26.3 Ų, 1-(3-Isopropoxyphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Isopropoxyphenyl)ethanone 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 1-(3-Isopropoxyphenyl)ethanone?
The CAS number of 1-(3-Isopropoxyphenyl)ethanone is 114591-30-9.
What is the molecular formula of 1-(3-Isopropoxyphenyl)ethanone?
The molecular formula of 1-(3-Isopropoxyphenyl)ethanone is C11H14O2.
What is the molecular weight of 1-(3-Isopropoxyphenyl)ethanone?
The molecular weight of 1-(3-Isopropoxyphenyl)ethanone is 178.10 g/mol.
Where can I buy 1-(3-Isopropoxyphenyl)ethanone?
You can request a quote for 1-(3-Isopropoxyphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Isopropoxyphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Isopropoxyphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.