6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran
TL;DR: 6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran (CAS 71822-00-9) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,2-dimethylchromen-6-yl)ethanol
Also Known As: Demethoxyencecalinol, 1-(2,2-dimethylchromen-6-yl)ethanol, Desmethoxyencecalinol, starbld0039235, 6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 71822-00-9 |
|---|---|
| SMILES | CC(C1=CC2=C(C=C1)OC(C=C2)(C)C)O |
| InChIKey | ICIIMFRGWJJFIH-UHFFFAOYSA-N |
Product Overview
6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran (CAS 71822-00-9), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: 1-(2,2-dimethylchromen-6-yl)ethanol.
Chemical Property Profile of 6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran
Property Insights of 6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran. With a topological polar surface area (TPSA) of 29.5 Ų, 6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran has 1 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 6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran?
The CAS number of 6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran is 71822-00-9.
What is the molecular formula of 6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran?
The molecular formula of 6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran is C13H16O2.
What is the molecular weight of 6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran?
The molecular weight of 6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran is 204.12 g/mol.
Where can I buy 6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran?
You can request a quote for 6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran?
Yes, KEHONG BIO provides custom synthesis services for 6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.