Dimethyl phenylbutanol
TL;DR: Dimethyl phenylbutanol (CAS 2035-93-0) 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.
4-methyl-4-phenylpentan-2-ol
Also Known As: 4-Methyl-4-phenylpentan-2-ol, dimethyl phenylbutanol, 4-Methyl-4-phenyl-2-pentanol, Me2CPhCH2CH(OH)Me, 4-Phenyl-4,4-dimethyl-2-butanol
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 2035-93-0 |
|---|---|
| SMILES | CC(CC(C)(C)C1=CC=CC=C1)O |
| InChIKey | NCYQVRNLBAYSLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl phenylbutanol (CAS 2035-93-0), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 4-methyl-4-phenylpentan-2-ol.
Chemical Property Profile of Dimethyl phenylbutanol
Property Insights of Dimethyl phenylbutanol
The XLogP value of 3.2 indicates that Dimethyl phenylbutanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Dimethyl phenylbutanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl phenylbutanol 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 Dimethyl phenylbutanol?
The CAS number of Dimethyl phenylbutanol is 2035-93-0.
What is the molecular formula of Dimethyl phenylbutanol?
The molecular formula of Dimethyl phenylbutanol is C12H18O.
What is the molecular weight of Dimethyl phenylbutanol?
The molecular weight of Dimethyl phenylbutanol is 178.14 g/mol.
Where can I buy Dimethyl phenylbutanol?
You can request a quote for Dimethyl phenylbutanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl phenylbutanol?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl phenylbutanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.