Benzene-1,3-diol--prop-2-en-1-ol (1/1)
TL;DR: Benzene-1,3-diol--prop-2-en-1-ol (1/1) (CAS 42425-45-6) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,3-diol;prop-2-en-1-ol
Also Known As: benzene-1,3-diol; prop-2-en-1-ol, 1,3-Benzenediol, polymer with 2-propen-1-ol, (C6-H6-O2.C3-H6-O)x-, Benzene-1,3-diol--prop-2-en-1-ol (1/1), RefChem:1078262
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 1.2625 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 215.72018 |
Chemical Identifiers
| CAS Number | 42425-45-6 |
|---|---|
| SMILES | C=CCO.C1=CC(=CC(=C1)O)O |
Product Overview
Benzene-1,3-diol--prop-2-en-1-ol (1/1) (CAS 42425-45-6), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: benzene-1,3-diol;prop-2-en-1-ol.
Chemical Property Profile of Benzene-1,3-diol--prop-2-en-1-ol (1/1)
Property Insights of Benzene-1,3-diol--prop-2-en-1-ol (1/1)
The XLogP value of 1.2625 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene-1,3-diol--prop-2-en-1-ol (1/1). The TPSA of 60.69 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene-1,3-diol--prop-2-en-1-ol (1/1). Following Lipinski's Rule of Five, Benzene-1,3-diol--prop-2-en-1-ol (1/1) 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 Benzene-1,3-diol--prop-2-en-1-ol (1/1)?
The CAS number of Benzene-1,3-diol--prop-2-en-1-ol (1/1) is 42425-45-6.
What is the molecular formula of Benzene-1,3-diol--prop-2-en-1-ol (1/1)?
The molecular formula of Benzene-1,3-diol--prop-2-en-1-ol (1/1) is C9H12O3.
What is the molecular weight of Benzene-1,3-diol--prop-2-en-1-ol (1/1)?
The molecular weight of Benzene-1,3-diol--prop-2-en-1-ol (1/1) is 168.08 g/mol.
Where can I buy Benzene-1,3-diol--prop-2-en-1-ol (1/1)?
You can request a quote for Benzene-1,3-diol--prop-2-en-1-ol (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene-1,3-diol--prop-2-en-1-ol (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Benzene-1,3-diol--prop-2-en-1-ol (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.