1-tert-Butyl-4-(methoxymethyl)benzene
TL;DR: 1-tert-Butyl-4-(methoxymethyl)benzene (CAS 3395-87-7) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-4-(methoxymethyl)benzene
Also Known As: 1-tert-Butyl-4-(methoxymethyl)benzene, p-t-butylbenzyl methyl ether, 4-tert-Butylbenzylmethyl ether, 1-(Methoxymethyl)-4-tert-butylbenzene, 1-(1,1-dimethylethyl)-4-(methoxymethyl)benzene
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 3395-87-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)COC |
| InChIKey | PNMIQNQBKODIPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-tert-Butyl-4-(methoxymethyl)benzene (CAS 3395-87-7), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 1-tert-butyl-4-(methoxymethyl)benzene.
Chemical Property Profile of 1-tert-Butyl-4-(methoxymethyl)benzene
Property Insights of 1-tert-Butyl-4-(methoxymethyl)benzene
The XLogP value of 3.2 indicates that 1-tert-Butyl-4-(methoxymethyl)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-tert-Butyl-4-(methoxymethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-tert-Butyl-4-(methoxymethyl)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-tert-Butyl-4-(methoxymethyl)benzene?
The CAS number of 1-tert-Butyl-4-(methoxymethyl)benzene is 3395-87-7.
What is the molecular formula of 1-tert-Butyl-4-(methoxymethyl)benzene?
The molecular formula of 1-tert-Butyl-4-(methoxymethyl)benzene is C12H18O.
What is the molecular weight of 1-tert-Butyl-4-(methoxymethyl)benzene?
The molecular weight of 1-tert-Butyl-4-(methoxymethyl)benzene is 178.14 g/mol.
Where can I buy 1-tert-Butyl-4-(methoxymethyl)benzene?
You can request a quote for 1-tert-Butyl-4-(methoxymethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-tert-Butyl-4-(methoxymethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-Butyl-4-(methoxymethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.