2-(2,2-Dimethylpropyl)benzene-1,4-diol
TL;DR: 2-(2,2-Dimethylpropyl)benzene-1,4-diol (CAS 39868-20-7) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-dimethylpropyl)benzene-1,4-diol
Also Known As: 2-Neopentyl-1,4-benzenediol, 2-(2,2-dimethylpropyl)benzene-1,4-diol, NCI60_025953
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 39868-20-7 |
|---|---|
| SMILES | CC(C)(C)CC1=C(C=CC(=C1)O)O |
| InChIKey | IZRKOTZTHHSHEF-UHFFFAOYSA-N |
Product Overview
2-(2,2-Dimethylpropyl)benzene-1,4-diol (CAS 39868-20-7), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: 2-(2,2-dimethylpropyl)benzene-1,4-diol.
Chemical Property Profile of 2-(2,2-Dimethylpropyl)benzene-1,4-diol
Property Insights of 2-(2,2-Dimethylpropyl)benzene-1,4-diol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,2-Dimethylpropyl)benzene-1,4-diol. With a topological polar surface area (TPSA) of 40.5 Ų, 2-(2,2-Dimethylpropyl)benzene-1,4-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,2-Dimethylpropyl)benzene-1,4-diol 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 2-(2,2-Dimethylpropyl)benzene-1,4-diol?
The CAS number of 2-(2,2-Dimethylpropyl)benzene-1,4-diol is 39868-20-7.
What is the molecular formula of 2-(2,2-Dimethylpropyl)benzene-1,4-diol?
The molecular formula of 2-(2,2-Dimethylpropyl)benzene-1,4-diol is C11H16O2.
What is the molecular weight of 2-(2,2-Dimethylpropyl)benzene-1,4-diol?
The molecular weight of 2-(2,2-Dimethylpropyl)benzene-1,4-diol is 180.12 g/mol.
Where can I buy 2-(2,2-Dimethylpropyl)benzene-1,4-diol?
You can request a quote for 2-(2,2-Dimethylpropyl)benzene-1,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,2-Dimethylpropyl)benzene-1,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,2-Dimethylpropyl)benzene-1,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.