3-Tert-butyl-5-methylphenol
TL;DR: 3-Tert-butyl-5-methylphenol (CAS 4892-31-3) is a chemical compound with molecular formula C11H16O and molecular weight 164.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-5-methylphenol
Also Known As: 3-tert-butyl-5-methylphenol, 5-tert-Butyl-m-cresol, 5-t-butyl-3-cresol, 3-methyl-5-tert-butyl-phenol, 3-methyl-5-tert-butylphenol
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.12012 |
| Heavy Atoms | 12 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 4892-31-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)O)C(C)(C)C |
| InChIKey | JOISCPZYGOECQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Tert-butyl-5-methylphenol (CAS 4892-31-3), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: 3-tert-butyl-5-methylphenol.
Chemical Property Profile of 3-Tert-butyl-5-methylphenol
Property Insights of 3-Tert-butyl-5-methylphenol
The XLogP value of 3.7 indicates that 3-Tert-butyl-5-methylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Tert-butyl-5-methylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Tert-butyl-5-methylphenol has 1 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-Tert-butyl-5-methylphenol?
The CAS number of 3-Tert-butyl-5-methylphenol is 4892-31-3.
What is the molecular formula of 3-Tert-butyl-5-methylphenol?
The molecular formula of 3-Tert-butyl-5-methylphenol is C11H16O.
What is the molecular weight of 3-Tert-butyl-5-methylphenol?
The molecular weight of 3-Tert-butyl-5-methylphenol is 164.12 g/mol.
Where can I buy 3-Tert-butyl-5-methylphenol?
You can request a quote for 3-Tert-butyl-5-methylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Tert-butyl-5-methylphenol?
Yes, KEHONG BIO provides custom synthesis services for 3-Tert-butyl-5-methylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.