2-Allyl-3,5-dimethylphenol
TL;DR: 2-Allyl-3,5-dimethylphenol (CAS 5361-83-1) is a chemical compound with molecular formula C11H14O and molecular weight 162.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-2-prop-2-enylphenol
Also Known As: 2-Allyl-3,5-dimethylphenol, 3,5-dimethyl-2-prop-2-enylphenol, 3,5-Dimethyl-2-propenyl-phenol, 3,5-Dimethyl-2-(2-propen-1-yl)phenol, 3,5-dimethyl-2-(prop-2-en-1-yl)phenol
| Molecular Formula | C11H14O |
|---|---|
| Molecular Weight | 162.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.10446 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 5361-83-1 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)O)CC=C)C |
| InChIKey | VJBNTMUSFMRWSH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Allyl-3,5-dimethylphenol (CAS 5361-83-1), with molecular formula C11H14O and molecular weight 162.10 g/mol. IUPAC: 3,5-dimethyl-2-prop-2-enylphenol.
Chemical Property Profile of 2-Allyl-3,5-dimethylphenol
Property Insights of 2-Allyl-3,5-dimethylphenol
The XLogP value of 3.4 indicates that 2-Allyl-3,5-dimethylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2-Allyl-3,5-dimethylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Allyl-3,5-dimethylphenol 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 2-Allyl-3,5-dimethylphenol?
The CAS number of 2-Allyl-3,5-dimethylphenol is 5361-83-1.
What is the molecular formula of 2-Allyl-3,5-dimethylphenol?
The molecular formula of 2-Allyl-3,5-dimethylphenol is C11H14O.
What is the molecular weight of 2-Allyl-3,5-dimethylphenol?
The molecular weight of 2-Allyl-3,5-dimethylphenol is 162.10 g/mol.
Where can I buy 2-Allyl-3,5-dimethylphenol?
You can request a quote for 2-Allyl-3,5-dimethylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Allyl-3,5-dimethylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Allyl-3,5-dimethylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.