Phenol, (1,1-dimethylethyl)-2,5-dimethyl-
TL;DR: Phenol, (1,1-dimethylethyl)-2,5-dimethyl- (CAS 31391-49-8) 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.
3-tert-butyl-2,5-dimethylphenol
Also Known As: 3-t-butyl-2,5-xylenol, Phenol, dimethyl-, isobutylenated, 3-tert-butyl-2,5-dimethylphenol, Phenol, (1,1-dimethylethyl)-2,5-dimethyl-, RefChem:368871
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 31391-49-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)O)C)C(C)(C)C |
| InChIKey | NPHAZMSHLCWTNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, (1,1-dimethylethyl)-2,5-dimethyl- (CAS 31391-49-8), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 3-tert-butyl-2,5-dimethylphenol.
Chemical Property Profile of Phenol, (1,1-dimethylethyl)-2,5-dimethyl-
Property Insights of Phenol, (1,1-dimethylethyl)-2,5-dimethyl-
The XLogP value of 4.0 indicates that Phenol, (1,1-dimethylethyl)-2,5-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Phenol, (1,1-dimethylethyl)-2,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, (1,1-dimethylethyl)-2,5-dimethyl- 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 Phenol, (1,1-dimethylethyl)-2,5-dimethyl-?
The CAS number of Phenol, (1,1-dimethylethyl)-2,5-dimethyl- is 31391-49-8.
What is the molecular formula of Phenol, (1,1-dimethylethyl)-2,5-dimethyl-?
The molecular formula of Phenol, (1,1-dimethylethyl)-2,5-dimethyl- is C12H18O.
What is the molecular weight of Phenol, (1,1-dimethylethyl)-2,5-dimethyl-?
The molecular weight of Phenol, (1,1-dimethylethyl)-2,5-dimethyl- is 178.14 g/mol.
Where can I buy Phenol, (1,1-dimethylethyl)-2,5-dimethyl-?
You can request a quote for Phenol, (1,1-dimethylethyl)-2,5-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, (1,1-dimethylethyl)-2,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, (1,1-dimethylethyl)-2,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.