3-(1,1-Dimethylethyl)-5-methyl-1,2-benzenediol
TL;DR: 3-(1,1-Dimethylethyl)-5-methyl-1,2-benzenediol (CAS 1010-99-7) 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.
3-tert-butyl-5-methylbenzene-1,2-diol
Also Known As: 3-tert-Butyl-5-methylpyrocatechol, 3-tert-butyl-5-methylbenzene-1,2-diol, 3-tert-Butyl-5-methylcatechol, 3-t-butyl-5-methylcatechol, 3-(tert-Butyl)-5-methylcatechol
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 1010-99-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)O)O)C(C)(C)C |
| InChIKey | YKYXORJDSTUCTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1,1-Dimethylethyl)-5-methyl-1,2-benzenediol (CAS 1010-99-7), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: 3-tert-butyl-5-methylbenzene-1,2-diol.
Chemical Property Profile of 3-(1,1-Dimethylethyl)-5-methyl-1,2-benzenediol
Property Insights of 3-(1,1-Dimethylethyl)-5-methyl-1,2-benzenediol
The XLogP value of 3.2 indicates that 3-(1,1-Dimethylethyl)-5-methyl-1,2-benzenediol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 3-(1,1-Dimethylethyl)-5-methyl-1,2-benzenediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,1-Dimethylethyl)-5-methyl-1,2-benzenediol 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 3-(1,1-Dimethylethyl)-5-methyl-1,2-benzenediol?
The CAS number of 3-(1,1-Dimethylethyl)-5-methyl-1,2-benzenediol is 1010-99-7.
What is the molecular formula of 3-(1,1-Dimethylethyl)-5-methyl-1,2-benzenediol?
The molecular formula of 3-(1,1-Dimethylethyl)-5-methyl-1,2-benzenediol is C11H16O2.
What is the molecular weight of 3-(1,1-Dimethylethyl)-5-methyl-1,2-benzenediol?
The molecular weight of 3-(1,1-Dimethylethyl)-5-methyl-1,2-benzenediol is 180.12 g/mol.
Where can I buy 3-(1,1-Dimethylethyl)-5-methyl-1,2-benzenediol?
You can request a quote for 3-(1,1-Dimethylethyl)-5-methyl-1,2-benzenediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,1-Dimethylethyl)-5-methyl-1,2-benzenediol?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,1-Dimethylethyl)-5-methyl-1,2-benzenediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.