1,3-Benzenediol, 4-(hydroxyphenylmethyl)-
TL;DR: 1,3-Benzenediol, 4-(hydroxyphenylmethyl)- (CAS 68052-16-4) is a chemical compound with molecular formula C13H12O3 and molecular weight 216.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[hydroxy(phenyl)methyl]benzene-1,3-diol
Also Known As: 2,4-Dihydroxydiphenylcarbinol, 4-[hydroxy(phenyl)methyl]benzene-1,3-diol, 1,3-Benzenediol, 4-(hydroxyphenylmethyl)-, 4-[Hydroxy methyl]-1,3-benzenediol, 4-[Hydroxy(phenyl)methyl]-1,3-benzenediol
| Molecular Formula | C13H12O3 |
|---|---|
| Molecular Weight | 216.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.07864 |
| Heavy Atoms | 16 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 68052-16-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=C(C=C(C=C2)O)O)O |
| InChIKey | LVYZWDOXAIFVRX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzenediol, 4-(hydroxyphenylmethyl)- (CAS 68052-16-4), with molecular formula C13H12O3 and molecular weight 216.08 g/mol. IUPAC: 4-[hydroxy(phenyl)methyl]benzene-1,3-diol.
Chemical Property Profile of 1,3-Benzenediol, 4-(hydroxyphenylmethyl)-
Property Insights of 1,3-Benzenediol, 4-(hydroxyphenylmethyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenediol, 4-(hydroxyphenylmethyl)-. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenediol, 4-(hydroxyphenylmethyl)-. Following Lipinski's Rule of Five, 1,3-Benzenediol, 4-(hydroxyphenylmethyl)- 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-Benzenediol, 4-(hydroxyphenylmethyl)-?
The CAS number of 1,3-Benzenediol, 4-(hydroxyphenylmethyl)- is 68052-16-4.
What is the molecular formula of 1,3-Benzenediol, 4-(hydroxyphenylmethyl)-?
The molecular formula of 1,3-Benzenediol, 4-(hydroxyphenylmethyl)- is C13H12O3.
What is the molecular weight of 1,3-Benzenediol, 4-(hydroxyphenylmethyl)-?
The molecular weight of 1,3-Benzenediol, 4-(hydroxyphenylmethyl)- is 216.08 g/mol.
Where can I buy 1,3-Benzenediol, 4-(hydroxyphenylmethyl)-?
You can request a quote for 1,3-Benzenediol, 4-(hydroxyphenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenediol, 4-(hydroxyphenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenediol, 4-(hydroxyphenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.