Phenol, 3,4-bis(1-methylethyl)-
TL;DR: Phenol, 3,4-bis(1-methylethyl)- (CAS 68155-50-0) 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.
3,4-di(propan-2-yl)phenol
Also Known As: 3,4-Diisopropylphenol, 3,4-Bisisopropylphenol, Phenol, 3,4-bis(1-methylethyl)-, 3,4-di(propan-2-yl)phenol, 3,4-Bis(1-methylethyl)phenol
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 68155-50-0 |
|---|---|
| SMILES | CC(C)C1=C(C=C(C=C1)O)C(C)C |
| InChIKey | VTJCIWXYZXSECW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 3,4-bis(1-methylethyl)- (CAS 68155-50-0), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 3,4-di(propan-2-yl)phenol.
Chemical Property Profile of Phenol, 3,4-bis(1-methylethyl)-
Property Insights of Phenol, 3,4-bis(1-methylethyl)-
The XLogP value of 3.8 indicates that Phenol, 3,4-bis(1-methylethyl)- 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, 3,4-bis(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 3,4-bis(1-methylethyl)- 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, 3,4-bis(1-methylethyl)-?
The CAS number of Phenol, 3,4-bis(1-methylethyl)- is 68155-50-0.
What is the molecular formula of Phenol, 3,4-bis(1-methylethyl)-?
The molecular formula of Phenol, 3,4-bis(1-methylethyl)- is C12H18O.
What is the molecular weight of Phenol, 3,4-bis(1-methylethyl)-?
The molecular weight of Phenol, 3,4-bis(1-methylethyl)- is 178.14 g/mol.
Where can I buy Phenol, 3,4-bis(1-methylethyl)-?
You can request a quote for Phenol, 3,4-bis(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 3,4-bis(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 3,4-bis(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.