3-Ethylphenol
TL;DR: 3-Ethylphenol (CAS 620-17-7) is a chemical compound with molecular formula C8H10O and molecular weight 122.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethylphenol
Also Known As: 3-ETHYLPHENOL, m-Ethylphenol, Phenol, 3-ethyl-, meta-Ethylphenol, Phenol, m-ethyl-
| Molecular Formula | C8H10O |
|---|---|
| Molecular Weight | 122.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 122.073166 |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
| Melting Point | -4 °C |
| Boiling Point | 218.4 °C @ 760 MM HG |
| Density | 1.0283 @ 20 °C |
| Solubility | SLIGHTLY SOLUBLE IN WATER, CHLOROFORM; VERY SOLUBLE IN ALCOHOL, ETHER |
| Vapor Pressure | 0.05 [mmHg] |
Chemical Identifiers
| CAS Number | 620-17-7 |
|---|---|
| SMILES | CCC1=CC(=CC=C1)O |
| InChIKey | HMNKTRSOROOSPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethylphenol (CAS 620-17-7), with molecular formula C8H10O and molecular weight 122.07 g/mol. IUPAC: 3-ethylphenol.
Chemical Property Profile of 3-Ethylphenol
Property Insights of 3-Ethylphenol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethylphenol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Ethylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethylphenol has 1 hydrogen bond donor(s) and 1 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 3-Ethylphenol?
The CAS number of 3-Ethylphenol is 620-17-7.
What is the molecular formula of 3-Ethylphenol?
The molecular formula of 3-Ethylphenol is C8H10O.
What is the molecular weight of 3-Ethylphenol?
The molecular weight of 3-Ethylphenol is 122.07 g/mol.
Where can I buy 3-Ethylphenol?
You can request a quote for 3-Ethylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethylphenol?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.