5-(1,1-Dimethylethyl)-2-methoxy-alpha-methylbenzenemethanol
TL;DR: 5-(1,1-Dimethylethyl)-2-methoxy-alpha-methylbenzenemethanol (CAS 500779-73-7) is a chemical compound with molecular formula C13H20O2 and molecular weight 208.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-tert-butyl-2-methoxyphenyl)ethanol
Also Known As: 1-(5-tert-butyl-2-methoxyphenyl)ethanol, 5-(1,1-Dimethylethyl)-2-methoxy-alpha-methylbenzenemethanol
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 500779-73-7 |
|---|---|
| SMILES | CC(C1=C(C=CC(=C1)C(C)(C)C)OC)O |
| InChIKey | BZLDJYPBGWPRKP-UHFFFAOYSA-N |
Product Overview
5-(1,1-Dimethylethyl)-2-methoxy-alpha-methylbenzenemethanol (CAS 500779-73-7), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: 1-(5-tert-butyl-2-methoxyphenyl)ethanol.
Chemical Property Profile of 5-(1,1-Dimethylethyl)-2-methoxy-alpha-methylbenzenemethanol
Property Insights of 5-(1,1-Dimethylethyl)-2-methoxy-alpha-methylbenzenemethanol
The XLogP value of 3.1 indicates that 5-(1,1-Dimethylethyl)-2-methoxy-alpha-methylbenzenemethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 5-(1,1-Dimethylethyl)-2-methoxy-alpha-methylbenzenemethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1,1-Dimethylethyl)-2-methoxy-alpha-methylbenzenemethanol 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 5-(1,1-Dimethylethyl)-2-methoxy-alpha-methylbenzenemethanol?
The CAS number of 5-(1,1-Dimethylethyl)-2-methoxy-alpha-methylbenzenemethanol is 500779-73-7.
What is the molecular formula of 5-(1,1-Dimethylethyl)-2-methoxy-alpha-methylbenzenemethanol?
The molecular formula of 5-(1,1-Dimethylethyl)-2-methoxy-alpha-methylbenzenemethanol is C13H20O2.
What is the molecular weight of 5-(1,1-Dimethylethyl)-2-methoxy-alpha-methylbenzenemethanol?
The molecular weight of 5-(1,1-Dimethylethyl)-2-methoxy-alpha-methylbenzenemethanol is 208.15 g/mol.
Where can I buy 5-(1,1-Dimethylethyl)-2-methoxy-alpha-methylbenzenemethanol?
You can request a quote for 5-(1,1-Dimethylethyl)-2-methoxy-alpha-methylbenzenemethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,1-Dimethylethyl)-2-methoxy-alpha-methylbenzenemethanol?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,1-Dimethylethyl)-2-methoxy-alpha-methylbenzenemethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.