丁香酚
TL;DR: 丁香酚 (CAS 97-53-0) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁香酚
2-methoxy-4-prop-2-enylphenol
Also Known As: eugenol, 4-Allyl-2-methoxyphenol, 4-Allylguaiacol, Eugenic acid, Allylguaiacol
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
| Melting Point | 15.4 to -9.1 °C |
| Boiling Point | 253.9 °C at 760 mmHg |
| Density | 1.0652 at 20.0 °C |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | 103.9 °C |
| Vapor Pressure | 0.01 mmHg at 20.0 °C ; 0.03 mmHg at 25.0 °C |
| Refractive Index | 1.5405 at 20 °C |
| GHS Signal | Warning |
| H-Statements | H317, H319 |
Chemical Identifiers
| CAS Number | 97-53-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CC=C)O |
| InChIKey | RRAFCDWBNXTKKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁香酚 (CAS 97-53-0), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: 2-methoxy-4-prop-2-enylphenol.
Chemical Property Profile of 丁香酚
Property Insights of 丁香酚
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁香酚. With a topological polar surface area (TPSA) of 29.5 Ų, 丁香酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁香油酚 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
Frequently Asked Questions
What is the CAS number of 丁香油酚?
The CAS number of 丁香油酚 is 97-53-0.
What is the molecular formula of 丁香油酚?
The molecular formula of 丁香油酚 is C10H12O2.
What is the molecular weight of 丁香油酚?
The molecular weight of 丁香油酚 is 164.08 g/mol.
Where can I buy 丁香油酚?
You can request a quote for 丁香油酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁香油酚?
Yes, KEHONG BIO provides custom synthesis services for 丁香油酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.