1-(3,4-Dihydroxyphenyl)-2-methylbutan-1-one
TL;DR: 1-(3,4-Dihydroxyphenyl)-2-methylbutan-1-one (CAS 67049-69-8) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,4-dihydroxyphenyl)-2-methylbutan-1-one
Also Known As: 3',4'-Dihydroxy-2-methylbutyrophenone, 1-(3,4-dihydroxyphenyl)-2-methylbutan-1-one, 1-Butanone, 1-(3,4-dihydroxyphenyl)-2-methyl-, BUTYROPHENONE, 3',4'-DIHYDROXY-2-METHYL-, 1-(3,4-dihydroxyphenyl)-2-methyl-1-butanone
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.0943 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.0943 Da |
| Heavy Atoms | 14 |
| Complexity | 203.0 |
| SMILES | CCC(C)C(=O)C1=CC(=C(C=C1)O)O |
| InChIKey | OEQYBTLDHVLHOC-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3,4-Dihydroxyphenyl)-2-methylbutan-1-one
Property Insights of 1-(3,4-Dihydroxyphenyl)-2-methylbutan-1-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Dihydroxyphenyl)-2-methylbutan-1-one. With a topological polar surface area (TPSA) of 57.5 Ų, 1-(3,4-Dihydroxyphenyl)-2-methylbutan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dihydroxyphenyl)-2-methylbutan-1-one has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(3,4-Dihydroxyphenyl)-2-methylbutan-1-one?
The CAS number of 1-(3,4-Dihydroxyphenyl)-2-methylbutan-1-one is 67049-69-8.
What is the molecular formula of 1-(3,4-Dihydroxyphenyl)-2-methylbutan-1-one?
The molecular formula of 1-(3,4-Dihydroxyphenyl)-2-methylbutan-1-one is C11H14O3.
What is the molecular weight of 1-(3,4-Dihydroxyphenyl)-2-methylbutan-1-one?
The molecular weight of 1-(3,4-Dihydroxyphenyl)-2-methylbutan-1-one is 194.0943 g/mol.
Where can I buy 1-(3,4-Dihydroxyphenyl)-2-methylbutan-1-one?
You can request a quote for 1-(3,4-Dihydroxyphenyl)-2-methylbutan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3,4-Dihydroxyphenyl)-2-methylbutan-1-one?
Yes, CoreyChem provides custom synthesis services for 1-(3,4-Dihydroxyphenyl)-2-methylbutan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.