1-(4-Hydroxy-3-(hydroxymethyl)phenyl)ethanone
TL;DR: 1-(4-Hydroxy-3-(hydroxymethyl)phenyl)ethanone (CAS 39235-58-0) 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-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone
Also Known As: 1-(4-Hydroxy-3-(hydroxymethyl)phenyl)ethanone, Salbutamol Impurity 50, 1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone, 4-hydroxy-3-hydroxymethylacetophenone, 3-Hydroxymethyl-4-hydroxy-acetophenon
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 0.7 |
| 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 | 167.0 |
Chemical Identifiers
| CAS Number | 39235-58-0 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)O)CO |
| InChIKey | VRNWCXMMNFZAJN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Hydroxy-3-(hydroxymethyl)phenyl)ethanone (CAS 39235-58-0), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: 1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone.
Chemical Property Profile of 1-(4-Hydroxy-3-(hydroxymethyl)phenyl)ethanone
Property Insights of 1-(4-Hydroxy-3-(hydroxymethyl)phenyl)ethanone
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Hydroxy-3-(hydroxymethyl)phenyl)ethanone. With a topological polar surface area (TPSA) of 57.5 Ų, 1-(4-Hydroxy-3-(hydroxymethyl)phenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Hydroxy-3-(hydroxymethyl)phenyl)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 1-(4-Hydroxy-3-(hydroxymethyl)phenyl)ethanone?
The CAS number of 1-(4-Hydroxy-3-(hydroxymethyl)phenyl)ethanone is 39235-58-0.
What is the molecular formula of 1-(4-Hydroxy-3-(hydroxymethyl)phenyl)ethanone?
The molecular formula of 1-(4-Hydroxy-3-(hydroxymethyl)phenyl)ethanone is C9H10O3.
What is the molecular weight of 1-(4-Hydroxy-3-(hydroxymethyl)phenyl)ethanone?
The molecular weight of 1-(4-Hydroxy-3-(hydroxymethyl)phenyl)ethanone is 166.06 g/mol.
Where can I buy 1-(4-Hydroxy-3-(hydroxymethyl)phenyl)ethanone?
You can request a quote for 1-(4-Hydroxy-3-(hydroxymethyl)phenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Hydroxy-3-(hydroxymethyl)phenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Hydroxy-3-(hydroxymethyl)phenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.