5-(Hexyloxy)-1,3-benzenedimethanol
TL;DR: 5-(Hexyloxy)-1,3-benzenedimethanol (CAS 686780-98-3) is a chemical compound with molecular formula C14H22O3 and molecular weight 238.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-hexoxy-5-(hydroxymethyl)phenyl]methanol
Also Known As: 5-(Hexyloxy)-1,3-benzenedimethanol, 1,3-benzenedimethanol, 5-(hexyloxy)-, [5-(hexyloxy)-1,3-phenylene]dimethanol, [3-hexoxy-5-(hydroxymethyl)phenyl]methanol, InChI=1/C14H22O3/c1-2-3-4-5-6-17-14-8-12(10-15)7-13(9-14)11-16/h7-9,15-16H,2-6,10-11H2,1H
| Molecular Formula | C14H22O3 |
|---|---|
| Molecular Weight | 238.16 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 238.15689 |
| Heavy Atoms | 17 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 686780-98-3 |
|---|---|
| SMILES | CCCCCCOC1=CC(=CC(=C1)CO)CO |
| InChIKey | QRLUHHPZESDEOE-UHFFFAOYSA-N |
Product Overview
5-(Hexyloxy)-1,3-benzenedimethanol (CAS 686780-98-3), with molecular formula C14H22O3 and molecular weight 238.16 g/mol. IUPAC: [3-hexoxy-5-(hydroxymethyl)phenyl]methanol.
Chemical Property Profile of 5-(Hexyloxy)-1,3-benzenedimethanol
Property Insights of 5-(Hexyloxy)-1,3-benzenedimethanol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Hexyloxy)-1,3-benzenedimethanol. With a topological polar surface area (TPSA) of 49.7 Ų, 5-(Hexyloxy)-1,3-benzenedimethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Hexyloxy)-1,3-benzenedimethanol 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 5-(Hexyloxy)-1,3-benzenedimethanol?
The CAS number of 5-(Hexyloxy)-1,3-benzenedimethanol is 686780-98-3.
What is the molecular formula of 5-(Hexyloxy)-1,3-benzenedimethanol?
The molecular formula of 5-(Hexyloxy)-1,3-benzenedimethanol is C14H22O3.
What is the molecular weight of 5-(Hexyloxy)-1,3-benzenedimethanol?
The molecular weight of 5-(Hexyloxy)-1,3-benzenedimethanol is 238.16 g/mol.
Where can I buy 5-(Hexyloxy)-1,3-benzenedimethanol?
You can request a quote for 5-(Hexyloxy)-1,3-benzenedimethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Hexyloxy)-1,3-benzenedimethanol?
Yes, KEHONG BIO provides custom synthesis services for 5-(Hexyloxy)-1,3-benzenedimethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.