4-Tert-butyl-2-(methoxymethyl)phenol
TL;DR: 4-Tert-butyl-2-(methoxymethyl)phenol (CAS 105594-08-9) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-2-(methoxymethyl)phenol
Also Known As: 4-tert-butyl-2-(methoxymethyl)phenol, Phenol,4-(1,1-dimethylethyl)-2-(methoxymethyl)-
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 105594-08-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)O)COC |
| InChIKey | IEIHVYNZHQWJPE-UHFFFAOYSA-N |
Product Overview
4-Tert-butyl-2-(methoxymethyl)phenol (CAS 105594-08-9), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: 4-tert-butyl-2-(methoxymethyl)phenol.
Chemical Property Profile of 4-Tert-butyl-2-(methoxymethyl)phenol
Property Insights of 4-Tert-butyl-2-(methoxymethyl)phenol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Tert-butyl-2-(methoxymethyl)phenol. With a topological polar surface area (TPSA) of 29.5 Ų, 4-Tert-butyl-2-(methoxymethyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Tert-butyl-2-(methoxymethyl)phenol has 1 hydrogen bond donor(s) and 2 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 4-Tert-butyl-2-(methoxymethyl)phenol?
The CAS number of 4-Tert-butyl-2-(methoxymethyl)phenol is 105594-08-9.
What is the molecular formula of 4-Tert-butyl-2-(methoxymethyl)phenol?
The molecular formula of 4-Tert-butyl-2-(methoxymethyl)phenol is C12H18O2.
What is the molecular weight of 4-Tert-butyl-2-(methoxymethyl)phenol?
The molecular weight of 4-Tert-butyl-2-(methoxymethyl)phenol is 194.13 g/mol.
Where can I buy 4-Tert-butyl-2-(methoxymethyl)phenol?
You can request a quote for 4-Tert-butyl-2-(methoxymethyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Tert-butyl-2-(methoxymethyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Tert-butyl-2-(methoxymethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.