1-(2,4-Dihydroxy-3-methylphenyl)ethan-1-one
TL;DR: 1-(2,4-Dihydroxy-3-methylphenyl)ethan-1-one (CAS 10139-84-1) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dihydroxy-3-methylphenyl)ethanone
Also Known As: 1-(2,4-Dihydroxy-3-methylphenyl)ethanone, 2',4'-Dihydroxy-3'-methylacetophenone, 3-Methylresacetophenone, 4-Acetyl-2-methylresorcinol, 1-(2,4-Dihydroxy-3-methylphenyl)ethan-1-one
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 10139-84-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1O)C(=O)C)O |
| InChIKey | KMTLZBUHQPQFAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2,4-Dihydroxy-3-methylphenyl)ethan-1-one (CAS 10139-84-1), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: 1-(2,4-dihydroxy-3-methylphenyl)ethanone.
Chemical Property Profile of 1-(2,4-Dihydroxy-3-methylphenyl)ethan-1-one
Property Insights of 1-(2,4-Dihydroxy-3-methylphenyl)ethan-1-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,4-Dihydroxy-3-methylphenyl)ethan-1-one. With a topological polar surface area (TPSA) of 57.5 Ų, 1-(2,4-Dihydroxy-3-methylphenyl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,4-Dihydroxy-3-methylphenyl)ethan-1-one has 2 hydrogen bond donor(s) and 3 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-(2,4-Dihydroxy-3-methylphenyl)ethan-1-one?
The CAS number of 1-(2,4-Dihydroxy-3-methylphenyl)ethan-1-one is 10139-84-1.
What is the molecular formula of 1-(2,4-Dihydroxy-3-methylphenyl)ethan-1-one?
The molecular formula of 1-(2,4-Dihydroxy-3-methylphenyl)ethan-1-one is C9H10O3.
What is the molecular weight of 1-(2,4-Dihydroxy-3-methylphenyl)ethan-1-one?
The molecular weight of 1-(2,4-Dihydroxy-3-methylphenyl)ethan-1-one is 166.06 g/mol.
Where can I buy 1-(2,4-Dihydroxy-3-methylphenyl)ethan-1-one?
You can request a quote for 1-(2,4-Dihydroxy-3-methylphenyl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4-Dihydroxy-3-methylphenyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-Dihydroxy-3-methylphenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.