1,3-Benzenedimethanol
TL;DR: 1,3-Benzenedimethanol (CAS 626-18-6) is a chemical compound with molecular formula C8H10O2 and molecular weight 138.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(hydroxymethyl)phenyl]methanol
Also Known As: 1,3-Benzenedimethanol, 1,3-Phenylenedimethanol, [3-(hydroxymethyl)phenyl]methanol, m-Xylylene Glycol, m-Xylene glycol
| Molecular Formula | C8H10O2 |
|---|---|
| Molecular Weight | 138.07 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 138.06808 |
| Heavy Atoms | 10 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 626-18-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)CO)CO |
| InChIKey | YWMLORGQOFONNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzenedimethanol (CAS 626-18-6), with molecular formula C8H10O2 and molecular weight 138.07 g/mol. IUPAC: [3-(hydroxymethyl)phenyl]methanol.
Chemical Property Profile of 1,3-Benzenedimethanol
Property Insights of 1,3-Benzenedimethanol
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenedimethanol. With a topological polar surface area (TPSA) of 40.5 Ų, 1,3-Benzenedimethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzenedimethanol has 2 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 1,3-Benzenedimethanol?
The CAS number of 1,3-Benzenedimethanol is 626-18-6.
What is the molecular formula of 1,3-Benzenedimethanol?
The molecular formula of 1,3-Benzenedimethanol is C8H10O2.
What is the molecular weight of 1,3-Benzenedimethanol?
The molecular weight of 1,3-Benzenedimethanol is 138.07 g/mol.
Where can I buy 1,3-Benzenedimethanol?
You can request a quote for 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 1,3-Benzenedimethanol?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedimethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.