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1-[(3-Chloro-2-propenyl)oxy]-2-methylbenzene
TL;DR: 1-[(3-Chloro-2-propenyl)oxy]-2-methylbenzene (CAS 54644-21-2) is a chemical compound with molecular formula C10H11ClO and molecular weight 182.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloroprop-2-enoxy)-2-methylbenzene
Also Known As: 2-Methyl-1-(3-chloro-2-propenoxy)benzene, 1-[(3-Chloro-2-propenyl )oxy]-2-methylbenzene
| Molecular Formula | C10H11ClO |
|---|---|
| Molecular Weight | 182.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.04984 |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 54644-21-2 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC=CCl |
| InChIKey | CARCNJSMOZPCNK-UHFFFAOYSA-N |
Product Overview
1-[(3-Chloro-2-propenyl)oxy]-2-methylbenzene (CAS 54644-21-2), with molecular formula C10H11ClO and molecular weight 182.05 g/mol. IUPAC: 1-(3-chloroprop-2-enoxy)-2-methylbenzene.
Chemical Property Profile of 1-[(3-Chloro-2-propenyl)oxy]-2-methylbenzene
Property Insights of 1-[(3-Chloro-2-propenyl)oxy]-2-methylbenzene
The XLogP value of 3.3 indicates that 1-[(3-Chloro-2-propenyl)oxy]-2-methylbenzene 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-[(3-Chloro-2-propenyl)oxy]-2-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(3-Chloro-2-propenyl)oxy]-2-methylbenzene 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-[(3-Chloro-2-propenyl)oxy]-2-methylbenzene?
The CAS number of 1-[(3-Chloro-2-propenyl)oxy]-2-methylbenzene is 54644-21-2.
What is the molecular formula of 1-[(3-Chloro-2-propenyl)oxy]-2-methylbenzene?
The molecular formula of 1-[(3-Chloro-2-propenyl)oxy]-2-methylbenzene is C10H11ClO.
What is the molecular weight of 1-[(3-Chloro-2-propenyl)oxy]-2-methylbenzene?
The molecular weight of 1-[(3-Chloro-2-propenyl)oxy]-2-methylbenzene is 182.05 g/mol.
Where can I buy 1-[(3-Chloro-2-propenyl)oxy]-2-methylbenzene?
You can request a quote for 1-[(3-Chloro-2-propenyl)oxy]-2-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(3-Chloro-2-propenyl)oxy]-2-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3-Chloro-2-propenyl)oxy]-2-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.