Benzene, (methoxymethyl)methyl-
TL;DR: Benzene, (methoxymethyl)methyl- (CAS 3395-88-8) is a chemical compound with molecular formula C9H12O and molecular weight 136.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(methoxymethyl)-4-methylbenzene
Also Known As: Methylbenzyloxymethane, 1-(methoxymethyl)-4-methylbenzene, Methyl methylbenzyl ether, alpha-Methoxy-p-xylene, Ether, methyl ar-methylbenzyl
| Molecular Formula | C9H12O |
|---|---|
| Molecular Weight | 136.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 136.08882 |
| Heavy Atoms | 10 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 3395-88-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)COC |
| InChIKey | HNASEWFYPPRNKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, (methoxymethyl)methyl- (CAS 3395-88-8), with molecular formula C9H12O and molecular weight 136.09 g/mol. IUPAC: 1-(methoxymethyl)-4-methylbenzene.
Chemical Property Profile of Benzene, (methoxymethyl)methyl-
Property Insights of Benzene, (methoxymethyl)methyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, (methoxymethyl)methyl-. With a topological polar surface area (TPSA) of 9.2 Ų, Benzene, (methoxymethyl)methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (methoxymethyl)methyl- 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 Benzene, (methoxymethyl)methyl-?
The CAS number of Benzene, (methoxymethyl)methyl- is 3395-88-8.
What is the molecular formula of Benzene, (methoxymethyl)methyl-?
The molecular formula of Benzene, (methoxymethyl)methyl- is C9H12O.
What is the molecular weight of Benzene, (methoxymethyl)methyl-?
The molecular weight of Benzene, (methoxymethyl)methyl- is 136.09 g/mol.
Where can I buy Benzene, (methoxymethyl)methyl-?
You can request a quote for Benzene, (methoxymethyl)methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, (methoxymethyl)methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, (methoxymethyl)methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.