1-(4-Methoxyphenyl)-1,4-butanediol
TL;DR: 1-(4-Methoxyphenyl)-1,4-butanediol (CAS 80174-16-9) is a chemical compound with molecular formula C11H16O3 and molecular weight 196.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)butane-1,4-diol
Also Known As: 1-(4-Methoxyphenyl)-1,4-butanediol, 1-(4-methoxyphenyl)butane-1,4-diol, J2.905.754K
| Molecular Formula | C11H16O3 |
|---|---|
| Molecular Weight | 196.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 196.10994 |
| Heavy Atoms | 14 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 80174-16-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(CCCO)O |
| InChIKey | GHTQYQWRZZWMFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Methoxyphenyl)-1,4-butanediol (CAS 80174-16-9), with molecular formula C11H16O3 and molecular weight 196.11 g/mol. IUPAC: 1-(4-methoxyphenyl)butane-1,4-diol.
Chemical Property Profile of 1-(4-Methoxyphenyl)-1,4-butanediol
Property Insights of 1-(4-Methoxyphenyl)-1,4-butanediol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methoxyphenyl)-1,4-butanediol. With a topological polar surface area (TPSA) of 49.7 Ų, 1-(4-Methoxyphenyl)-1,4-butanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methoxyphenyl)-1,4-butanediol has 2 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-Methoxyphenyl)-1,4-butanediol?
The CAS number of 1-(4-Methoxyphenyl)-1,4-butanediol is 80174-16-9.
What is the molecular formula of 1-(4-Methoxyphenyl)-1,4-butanediol?
The molecular formula of 1-(4-Methoxyphenyl)-1,4-butanediol is C11H16O3.
What is the molecular weight of 1-(4-Methoxyphenyl)-1,4-butanediol?
The molecular weight of 1-(4-Methoxyphenyl)-1,4-butanediol is 196.11 g/mol.
Where can I buy 1-(4-Methoxyphenyl)-1,4-butanediol?
You can request a quote for 1-(4-Methoxyphenyl)-1,4-butanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methoxyphenyl)-1,4-butanediol?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methoxyphenyl)-1,4-butanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.