4-(2-Methylhex-5-en-3-yn-2-yl)phenol
TL;DR: 4-(2-Methylhex-5-en-3-yn-2-yl)phenol (CAS 27819-47-2) is a chemical compound with molecular formula C13H14O and molecular weight 186.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylhex-5-en-3-yn-2-yl)phenol
Also Known As: 4-(2-methylhex-5-en-3-yn-2-yl)phenol, Phenol, 4-(1,1-dimethyl-4-penten-2-ynyl)-, Dimethylvinylethynyl-p-hydroxyphenylmethane, Phenol, 4-(1,1-dimethyl-4-penten-2-yn-1-yl)-, 845-189-8
| Molecular Formula | C13H14O |
|---|---|
| Molecular Weight | 186.10 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.10446 |
| Heavy Atoms | 14 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 27819-47-2 |
|---|---|
| SMILES | CC(C)(C#CC=C)C1=CC=C(C=C1)O |
| InChIKey | QRCZSLMYYOGMQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-Methylhex-5-en-3-yn-2-yl)phenol (CAS 27819-47-2), with molecular formula C13H14O and molecular weight 186.10 g/mol. IUPAC: 4-(2-methylhex-5-en-3-yn-2-yl)phenol.
Chemical Property Profile of 4-(2-Methylhex-5-en-3-yn-2-yl)phenol
Property Insights of 4-(2-Methylhex-5-en-3-yn-2-yl)phenol
The XLogP value of 4.0 indicates that 4-(2-Methylhex-5-en-3-yn-2-yl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 4-(2-Methylhex-5-en-3-yn-2-yl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Methylhex-5-en-3-yn-2-yl)phenol 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 4-(2-Methylhex-5-en-3-yn-2-yl)phenol?
The CAS number of 4-(2-Methylhex-5-en-3-yn-2-yl)phenol is 27819-47-2.
What is the molecular formula of 4-(2-Methylhex-5-en-3-yn-2-yl)phenol?
The molecular formula of 4-(2-Methylhex-5-en-3-yn-2-yl)phenol is C13H14O.
What is the molecular weight of 4-(2-Methylhex-5-en-3-yn-2-yl)phenol?
The molecular weight of 4-(2-Methylhex-5-en-3-yn-2-yl)phenol is 186.10 g/mol.
Where can I buy 4-(2-Methylhex-5-en-3-yn-2-yl)phenol?
You can request a quote for 4-(2-Methylhex-5-en-3-yn-2-yl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Methylhex-5-en-3-yn-2-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Methylhex-5-en-3-yn-2-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.