1-Methoxy-3-(3-methyl-3-butenyl)benzene
TL;DR: 1-Methoxy-3-(3-methyl-3-butenyl)benzene (CAS 40718-29-4) 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-methoxy-3-(3-methylbut-3-enyl)benzene
Also Known As: 4-(3-METHOXYPHENYL)-2-METHYL-1-BUTENE, 1-Methoxy-3-(3-methyl-3-butenyl)benzene, 1-methoxy-3-(3-methylbut-3-enyl)benzene, 2-methyl-4-(m-methoxyphenyl)-1-butene, 1-METHOXY-3-(3-METHYLBUT-3-EN-1-YL)BENZENE
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 4.3 |
| 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 | 163.0 |
Chemical Identifiers
| CAS Number | 40718-29-4 |
|---|---|
| SMILES | CC(=C)CCC1=CC(=CC=C1)OC |
| InChIKey | IEFVXKWQROXFHN-UHFFFAOYSA-N |
Product Overview
1-Methoxy-3-(3-methyl-3-butenyl)benzene (CAS 40718-29-4), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 1-methoxy-3-(3-methylbut-3-enyl)benzene.
Chemical Property Profile of 1-Methoxy-3-(3-methyl-3-butenyl)benzene
Property Insights of 1-Methoxy-3-(3-methyl-3-butenyl)benzene
The XLogP value of 4.3 indicates that 1-Methoxy-3-(3-methyl-3-butenyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Methoxy-3-(3-methyl-3-butenyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methoxy-3-(3-methyl-3-butenyl)benzene 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 1-Methoxy-3-(3-methyl-3-butenyl)benzene?
The CAS number of 1-Methoxy-3-(3-methyl-3-butenyl)benzene is 40718-29-4.
What is the molecular formula of 1-Methoxy-3-(3-methyl-3-butenyl)benzene?
The molecular formula of 1-Methoxy-3-(3-methyl-3-butenyl)benzene is C12H16O.
What is the molecular weight of 1-Methoxy-3-(3-methyl-3-butenyl)benzene?
The molecular weight of 1-Methoxy-3-(3-methyl-3-butenyl)benzene is 176.12 g/mol.
Where can I buy 1-Methoxy-3-(3-methyl-3-butenyl)benzene?
You can request a quote for 1-Methoxy-3-(3-methyl-3-butenyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methoxy-3-(3-methyl-3-butenyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methoxy-3-(3-methyl-3-butenyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.