3-(2-Ethoxy-5-methylphenyl)-1-propene
TL;DR: 3-(2-Ethoxy-5-methylphenyl)-1-propene (CAS 105337-74-4) is a chemical compound with molecular formula C12H16O and molecular weight 176.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethoxy-4-methyl-2-prop-2-enylbenzene
Also Known As: 3-(2-Ethoxy-5-methylphenyl)-1-propene, 2-Allyl-4-methyl-phenetol, 2-allyl-4-methyl-phenetole, 1-ethoxy-4-methyl-2-prop-2-enylbenzene, 2-allyl-1-ethoxy-4-methyl-benzene
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 105337-74-4 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C)CC=C |
| InChIKey | COQDAAWYNLWMMU-UHFFFAOYSA-N |
Product Overview
3-(2-Ethoxy-5-methylphenyl)-1-propene (CAS 105337-74-4), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 1-ethoxy-4-methyl-2-prop-2-enylbenzene.
Chemical Property Profile of 3-(2-Ethoxy-5-methylphenyl)-1-propene
Property Insights of 3-(2-Ethoxy-5-methylphenyl)-1-propene
The XLogP value of 3.7 indicates that 3-(2-Ethoxy-5-methylphenyl)-1-propene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 3-(2-Ethoxy-5-methylphenyl)-1-propene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Ethoxy-5-methylphenyl)-1-propene has 0 hydrogen bond donor(s) and 1 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-(2-Ethoxy-5-methylphenyl)-1-propene?
The CAS number of 3-(2-Ethoxy-5-methylphenyl)-1-propene is 105337-74-4.
What is the molecular formula of 3-(2-Ethoxy-5-methylphenyl)-1-propene?
The molecular formula of 3-(2-Ethoxy-5-methylphenyl)-1-propene is C12H16O.
What is the molecular weight of 3-(2-Ethoxy-5-methylphenyl)-1-propene?
The molecular weight of 3-(2-Ethoxy-5-methylphenyl)-1-propene is 176.12 g/mol.
Where can I buy 3-(2-Ethoxy-5-methylphenyl)-1-propene?
You can request a quote for 3-(2-Ethoxy-5-methylphenyl)-1-propene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Ethoxy-5-methylphenyl)-1-propene?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Ethoxy-5-methylphenyl)-1-propene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.