1-(2-Hydroxy-4-methylphenyl)-1-pentanone
TL;DR: 1-(2-Hydroxy-4-methylphenyl)-1-pentanone (CAS 173851-66-6) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-hydroxy-4-methylphenyl)pentan-1-one
Also Known As: Valeryl m-cresol, 1-(2-hydroxy-4-methylphenyl)pentan-1-one, 2'-hydroxy-4'-methylvalerophenone, Amylmetacresol impurity E, Amylmetacresol EP Impurity E
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.11504 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.11504 Da |
| Heavy Atoms | 14 |
| Complexity | 189.0 |
| SMILES | CCCCC(=O)C1=C(C=C(C=C1)C)O |
| InChIKey | YPKVRMSJESHSBN-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2-Hydroxy-4-methylphenyl)-1-pentanone
Property Insights of 1-(2-Hydroxy-4-methylphenyl)-1-pentanone
The XLogP value of 3.5 indicates that 1-(2-Hydroxy-4-methylphenyl)-1-pentanone 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-(2-Hydroxy-4-methylphenyl)-1-pentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Hydroxy-4-methylphenyl)-1-pentanone 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
What is the CAS number of 1-(2-Hydroxy-4-methylphenyl)-1-pentanone?
The CAS number of 1-(2-Hydroxy-4-methylphenyl)-1-pentanone is 173851-66-6.
What is the molecular formula of 1-(2-Hydroxy-4-methylphenyl)-1-pentanone?
The molecular formula of 1-(2-Hydroxy-4-methylphenyl)-1-pentanone is C12H16O2.
What is the molecular weight of 1-(2-Hydroxy-4-methylphenyl)-1-pentanone?
The molecular weight of 1-(2-Hydroxy-4-methylphenyl)-1-pentanone is 192.11504 g/mol.
Where can I buy 1-(2-Hydroxy-4-methylphenyl)-1-pentanone?
You can request a quote for 1-(2-Hydroxy-4-methylphenyl)-1-pentanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-Hydroxy-4-methylphenyl)-1-pentanone?
Yes, CoreyChem provides custom synthesis services for 1-(2-Hydroxy-4-methylphenyl)-1-pentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.