1,3-Benzenedimethanol, 2-hydroxy-5-(1-methylethyl)-
TL;DR: 1,3-Benzenedimethanol, 2-hydroxy-5-(1-methylethyl)- (CAS 54845-41-9) 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.
2,6-bis(hydroxymethyl)-4-propan-2-ylphenol
Also Known As: 2,6-Bis(hydroxymethyl)-4-isopropylphenol, 1,3-Benzenedimethanol, 2-hydroxy-5-(1-methylethyl)-, 2,6-dihydroxymethyl-4-isopropylphenol, 2,6-bis(hydroxymethyl)-4-(propan-2-yl)phenol, 2,6-bis(hydroxymethyl)-4-propan-2-ylphenol
| Molecular Formula | C11H16O3 |
|---|---|
| Molecular Weight | 196.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.10994 |
| Heavy Atoms | 14 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 54845-41-9 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C(=C1)CO)O)CO |
| InChIKey | JOOOXGGAHUBKTL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzenedimethanol, 2-hydroxy-5-(1-methylethyl)- (CAS 54845-41-9), with molecular formula C11H16O3 and molecular weight 196.11 g/mol. IUPAC: 2,6-bis(hydroxymethyl)-4-propan-2-ylphenol.
Chemical Property Profile of 1,3-Benzenedimethanol, 2-hydroxy-5-(1-methylethyl)-
Property Insights of 1,3-Benzenedimethanol, 2-hydroxy-5-(1-methylethyl)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenedimethanol, 2-hydroxy-5-(1-methylethyl)-. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenedimethanol, 2-hydroxy-5-(1-methylethyl)-. Following Lipinski's Rule of Five, 1,3-Benzenedimethanol, 2-hydroxy-5-(1-methylethyl)- has 3 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 1,3-Benzenedimethanol, 2-hydroxy-5-(1-methylethyl)-?
The CAS number of 1,3-Benzenedimethanol, 2-hydroxy-5-(1-methylethyl)- is 54845-41-9.
What is the molecular formula of 1,3-Benzenedimethanol, 2-hydroxy-5-(1-methylethyl)-?
The molecular formula of 1,3-Benzenedimethanol, 2-hydroxy-5-(1-methylethyl)- is C11H16O3.
What is the molecular weight of 1,3-Benzenedimethanol, 2-hydroxy-5-(1-methylethyl)-?
The molecular weight of 1,3-Benzenedimethanol, 2-hydroxy-5-(1-methylethyl)- is 196.11 g/mol.
Where can I buy 1,3-Benzenedimethanol, 2-hydroxy-5-(1-methylethyl)-?
You can request a quote for 1,3-Benzenedimethanol, 2-hydroxy-5-(1-methylethyl)- 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, 2-hydroxy-5-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedimethanol, 2-hydroxy-5-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.