邻丁氧基苯甲醇
TL;DR: 邻丁氧基苯甲醇 (CAS 6513-49-1) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻丁氧基苯甲醇
(2-butoxyphenyl)methanol
Also Known As: (2-butoxyphenyl)methanol, o-Butoxybenzyl alcohol, 2-Butoxybenzenemethanol, Benzenemethanol, 2-butoxy-, n-Butyl ether of saligenin
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 6513-49-1 |
|---|---|
| SMILES | CCCCOC1=CC=CC=C1CO |
| InChIKey | XHMKGDUAGDFSHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻丁氧基苯甲醇 (CAS 6513-49-1), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: (2-butoxyphenyl)methanol.
Chemical Property Profile of 邻丁氧基苯甲醇
Property Insights of 邻丁氧基苯甲醇
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 邻丁氧基苯甲醇. With a topological polar surface area (TPSA) of 29.5 Ų, 邻丁氧基苯甲醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 邻丁氧基苯甲醇 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 邻丁氧基苯甲醇?
The CAS number of 邻丁氧基苯甲醇 is 6513-49-1.
What is the molecular formula of 邻丁氧基苯甲醇?
The molecular formula of 邻丁氧基苯甲醇 is C11H16O2.
What is the molecular weight of 邻丁氧基苯甲醇?
The molecular weight of 邻丁氧基苯甲醇 is 180.12 g/mol.
Where can I buy 邻丁氧基苯甲醇?
You can request a quote for 邻丁氧基苯甲醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻丁氧基苯甲醇?
Yes, KEHONG BIO provides custom synthesis services for 邻丁氧基苯甲醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.