(3-Methylphenyl) methanol, tert.-butyl ether
TL;DR: (3-Methylphenyl) methanol, tert.-butyl ether (CAS 40677-59-6) 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-methyl-3-[(2-methylpropan-2-yl)oxymethyl]benzene
Also Known As: m-xylyl tert-butyl ether, (3-Methylphenyl) methanol, tert.-butyl ether, 1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]benzene
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 3.31012 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 270.69812 |
Chemical Identifiers
| CAS Number | 40677-59-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)COC(C)(C)C |
Product Overview
(3-Methylphenyl) methanol, tert.-butyl ether (CAS 40677-59-6), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]benzene.
Chemical Property Profile of (3-Methylphenyl) methanol, tert.-butyl ether
Property Insights of (3-Methylphenyl) methanol, tert.-butyl ether
The XLogP value of 3.31012 indicates that (3-Methylphenyl) methanol, tert.-butyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, (3-Methylphenyl) methanol, tert.-butyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Methylphenyl) methanol, tert.-butyl ether 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 (3-Methylphenyl) methanol, tert.-butyl ether?
The CAS number of (3-Methylphenyl) methanol, tert.-butyl ether is 40677-59-6.
What is the molecular formula of (3-Methylphenyl) methanol, tert.-butyl ether?
The molecular formula of (3-Methylphenyl) methanol, tert.-butyl ether is C12H18O.
What is the molecular weight of (3-Methylphenyl) methanol, tert.-butyl ether?
The molecular weight of (3-Methylphenyl) methanol, tert.-butyl ether is 178.14 g/mol.
Where can I buy (3-Methylphenyl) methanol, tert.-butyl ether?
You can request a quote for (3-Methylphenyl) methanol, tert.-butyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Methylphenyl) methanol, tert.-butyl ether?
Yes, KEHONG BIO provides custom synthesis services for (3-Methylphenyl) methanol, tert.-butyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.