1-Chloro-2,3,4-trimethoxybenzene
TL;DR: 1-Chloro-2,3,4-trimethoxybenzene (CAS 54625-53-5) is a chemical compound with molecular formula C9H11ClO3 and molecular weight 202.03967 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-2,3,4-trimethoxybenzene
Also Known As: Chlorotrimethoxybenzene, 1-Chloro-2,3,4-trimethoxybenzene, Benzene, chlorotrimethoxy-, 2,3,4-Trimethoxychlorobenzene, Benzene, 1-chloro-2,3,4-trimethoxy-
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H11ClO3 |
| Molecular Weight | 202.03967 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.03967 Da |
| Heavy Atoms | 13 |
| Complexity | 154.0 |
| SMILES | COC1=C(C(=C(C=C1)Cl)OC)OC |
| InChIKey | LIHWMLGRCUKVLB-UHFFFAOYSA-N |
Chemical Property Profile of 1-Chloro-2,3,4-trimethoxybenzene
Property Insights of 1-Chloro-2,3,4-trimethoxybenzene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-2,3,4-trimethoxybenzene. With a topological polar surface area (TPSA) of 27.7 Ų, 1-Chloro-2,3,4-trimethoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2,3,4-trimethoxybenzene has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Chloro-2,3,4-trimethoxybenzene?
The CAS number of 1-Chloro-2,3,4-trimethoxybenzene is 54625-53-5.
What is the molecular formula of 1-Chloro-2,3,4-trimethoxybenzene?
The molecular formula of 1-Chloro-2,3,4-trimethoxybenzene is C9H11ClO3.
What is the molecular weight of 1-Chloro-2,3,4-trimethoxybenzene?
The molecular weight of 1-Chloro-2,3,4-trimethoxybenzene is 202.03967 g/mol.
Where can I buy 1-Chloro-2,3,4-trimethoxybenzene?
You can request a quote for 1-Chloro-2,3,4-trimethoxybenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Chloro-2,3,4-trimethoxybenzene?
Yes, CoreyChem provides custom synthesis services for 1-Chloro-2,3,4-trimethoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.