1-(4-tert-Butylphenyl)-2-hydroxy-2-methyl-1-propanone
TL;DR: 1-(4-tert-Butylphenyl)-2-hydroxy-2-methyl-1-propanone (CAS 68400-54-4) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-tert-butylphenyl)-2-hydroxy-2-methylpropan-1-one
Also Known As: 1-(4-tert-Butylphenyl)-2-hydroxy-2-methyl-1-propanone, 1-(4-tert-butylphenyl)-2-hydroxy-2-methylpropan-1-one, 1-Propanone, 1-[4-(1,1-dimethylethyl)phenyl]-2-hydroxy-2-methyl-, 1-[4-(1,1-dimethylethyl)phenyl]-2-hydroxy-2-methylpropan-1-one, 2-HYDROXY-2-METHYL-1-(4-TERT-BUTYL)PHENYLPROPAN-1-ONE
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 68400-54-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)C(C)(C)O |
| InChIKey | JHXJMPVUVKIGKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-tert-Butylphenyl)-2-hydroxy-2-methyl-1-propanone (CAS 68400-54-4), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: 1-(4-tert-butylphenyl)-2-hydroxy-2-methylpropan-1-one.
Chemical Property Profile of 1-(4-tert-Butylphenyl)-2-hydroxy-2-methyl-1-propanone
Property Insights of 1-(4-tert-Butylphenyl)-2-hydroxy-2-methyl-1-propanone
The XLogP value of 3.2 indicates that 1-(4-tert-Butylphenyl)-2-hydroxy-2-methyl-1-propanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 1-(4-tert-Butylphenyl)-2-hydroxy-2-methyl-1-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-tert-Butylphenyl)-2-hydroxy-2-methyl-1-propanone has 1 hydrogen bond donor(s) and 2 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 1-(4-tert-Butylphenyl)-2-hydroxy-2-methyl-1-propanone?
The CAS number of 1-(4-tert-Butylphenyl)-2-hydroxy-2-methyl-1-propanone is 68400-54-4.
What is the molecular formula of 1-(4-tert-Butylphenyl)-2-hydroxy-2-methyl-1-propanone?
The molecular formula of 1-(4-tert-Butylphenyl)-2-hydroxy-2-methyl-1-propanone is C14H20O2.
What is the molecular weight of 1-(4-tert-Butylphenyl)-2-hydroxy-2-methyl-1-propanone?
The molecular weight of 1-(4-tert-Butylphenyl)-2-hydroxy-2-methyl-1-propanone is 220.15 g/mol.
Where can I buy 1-(4-tert-Butylphenyl)-2-hydroxy-2-methyl-1-propanone?
You can request a quote for 1-(4-tert-Butylphenyl)-2-hydroxy-2-methyl-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-tert-Butylphenyl)-2-hydroxy-2-methyl-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-tert-Butylphenyl)-2-hydroxy-2-methyl-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.