3,5-Bis(1-methylethyl)phenol
TL;DR: 3,5-Bis(1-methylethyl)phenol (CAS 26886-05-5) is a chemical compound with molecular formula C12H18O and molecular weight 178.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-di(propan-2-yl)phenol
Also Known As: 3,5-Diisopropylphenol, Phenol, 3,5-bis(1-methylethyl)-, 3,5-di(propan-2-yl)phenol, Phenol, 3,5-diisopropyl-, 3,5-diisopropyl-phenol
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H18O |
| Molecular Weight | 178.13577 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.13577 Da |
| Heavy Atoms | 13 |
| Complexity | 135.0 |
| SMILES | CC(C)C1=CC(=CC(=C1)O)C(C)C |
| InChIKey | YYOQJBLGFMMRLJ-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Bis(1-methylethyl)phenol
Property Insights of 3,5-Bis(1-methylethyl)phenol
The XLogP value of 3.8 indicates that 3,5-Bis(1-methylethyl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 3,5-Bis(1-methylethyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(1-methylethyl)phenol 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
What is the CAS number of 3,5-Bis(1-methylethyl)phenol?
The CAS number of 3,5-Bis(1-methylethyl)phenol is 26886-05-5.
What is the molecular formula of 3,5-Bis(1-methylethyl)phenol?
The molecular formula of 3,5-Bis(1-methylethyl)phenol is C12H18O.
What is the molecular weight of 3,5-Bis(1-methylethyl)phenol?
The molecular weight of 3,5-Bis(1-methylethyl)phenol is 178.13577 g/mol.
Where can I buy 3,5-Bis(1-methylethyl)phenol?
You can request a quote for 3,5-Bis(1-methylethyl)phenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Bis(1-methylethyl)phenol?
Yes, CoreyChem provides custom synthesis services for 3,5-Bis(1-methylethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.