2,2-Dihydroxy-1-(4-methylphenyl)ethanone
TL;DR: 2,2-Dihydroxy-1-(4-methylphenyl)ethanone (CAS 31284-89-6) 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.
2,2-dihydroxy-1-(4-methylphenyl)ethanone
Also Known As: 2,2-dihydroxy-1-(4-methylphenyl)ethanone, 2-Oxo-2-(p-tolyl)acetaldehyde hydrate, 2,2-Dihydroxy-1-(p-tolyl)ethanone, 4-Methylphenylglyoxal hydrate, 4-methylphenylglyoxalhydrate
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 31284-89-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C(O)O |
| InChIKey | XYZCEPPNDUWKPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dihydroxy-1-(4-methylphenyl)ethanone (CAS 31284-89-6), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: 2,2-dihydroxy-1-(4-methylphenyl)ethanone.
Chemical Property Profile of 2,2-Dihydroxy-1-(4-methylphenyl)ethanone
Property Insights of 2,2-Dihydroxy-1-(4-methylphenyl)ethanone
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dihydroxy-1-(4-methylphenyl)ethanone. With a topological polar surface area (TPSA) of 57.5 Ų, 2,2-Dihydroxy-1-(4-methylphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dihydroxy-1-(4-methylphenyl)ethanone 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 2,2-Dihydroxy-1-(4-methylphenyl)ethanone?
The CAS number of 2,2-Dihydroxy-1-(4-methylphenyl)ethanone is 31284-89-6.
What is the molecular formula of 2,2-Dihydroxy-1-(4-methylphenyl)ethanone?
The molecular formula of 2,2-Dihydroxy-1-(4-methylphenyl)ethanone is C9H10O3.
What is the molecular weight of 2,2-Dihydroxy-1-(4-methylphenyl)ethanone?
The molecular weight of 2,2-Dihydroxy-1-(4-methylphenyl)ethanone is 166.06 g/mol.
Where can I buy 2,2-Dihydroxy-1-(4-methylphenyl)ethanone?
You can request a quote for 2,2-Dihydroxy-1-(4-methylphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dihydroxy-1-(4-methylphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dihydroxy-1-(4-methylphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.