1-(4-Hydroxy-3-methoxyphenyl)cyclopentanecarbonitrile
TL;DR: 1-(4-Hydroxy-3-methoxyphenyl)cyclopentanecarbonitrile (CAS 294873-75-9) is a chemical compound with molecular formula C13H15NO2 and molecular weight 217.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-hydroxy-3-methoxyphenyl)cyclopentane-1-carbonitrile
Also Known As: 1-(4-Hydroxy-3-methoxyphenyl)cyclopentanecarbonitrile, 1-(4-hydroxy-3-methoxyphenyl)cyclopentane-1-carbonitrile, 1-(4-Hydroxy-3-methoxyphenyl)cyclopentanecarbonitrile #, Cyclopentane-1-carbonitrile, 1-(4-hydroxy-3-methoxyphenyl)-
| Molecular Formula | C13H15NO2 |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.11028 |
| Heavy Atoms | 16 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 294873-75-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2(CCCC2)C#N)O |
| InChIKey | ATIYBDKLBAVJRJ-UHFFFAOYSA-N |
Product Overview
1-(4-Hydroxy-3-methoxyphenyl)cyclopentanecarbonitrile (CAS 294873-75-9), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: 1-(4-hydroxy-3-methoxyphenyl)cyclopentane-1-carbonitrile.
Chemical Property Profile of 1-(4-Hydroxy-3-methoxyphenyl)cyclopentanecarbonitrile
Property Insights of 1-(4-Hydroxy-3-methoxyphenyl)cyclopentanecarbonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Hydroxy-3-methoxyphenyl)cyclopentanecarbonitrile. With a topological polar surface area (TPSA) of 53.3 Ų, 1-(4-Hydroxy-3-methoxyphenyl)cyclopentanecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Hydroxy-3-methoxyphenyl)cyclopentanecarbonitrile has 1 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-methoxyphenyl)cyclopentanecarbonitrile?
The CAS number of 1-(4-Hydroxy-3-methoxyphenyl)cyclopentanecarbonitrile is 294873-75-9.
What is the molecular formula of 1-(4-Hydroxy-3-methoxyphenyl)cyclopentanecarbonitrile?
The molecular formula of 1-(4-Hydroxy-3-methoxyphenyl)cyclopentanecarbonitrile is C13H15NO2.
What is the molecular weight of 1-(4-Hydroxy-3-methoxyphenyl)cyclopentanecarbonitrile?
The molecular weight of 1-(4-Hydroxy-3-methoxyphenyl)cyclopentanecarbonitrile is 217.11 g/mol.
Where can I buy 1-(4-Hydroxy-3-methoxyphenyl)cyclopentanecarbonitrile?
You can request a quote for 1-(4-Hydroxy-3-methoxyphenyl)cyclopentanecarbonitrile 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-methoxyphenyl)cyclopentanecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Hydroxy-3-methoxyphenyl)cyclopentanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.