3,3-Dimethyl-1-phenylbutan-2-ol
TL;DR: 3,3-Dimethyl-1-phenylbutan-2-ol (CAS 105735-63-5) is a chemical compound with molecular formula C12H18O and molecular weight 178.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3-dimethyl-1-phenylbutan-2-ol
Also Known As: 3,3-dimethyl-1-phenylbutan-2-ol, benzyl-t-butyl-carbinol, 3,3-dimethyl-1-phenyl-2-butanol, 1-Phenyl-3,3-dimethyl-2-butanol, 1-Phenyl-3,3-dimethylbutane-2-ol
Technical Specifications
| Molecular Formula | C12H18O |
| Molecular Weight | 178.13577 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.13577 Da |
| Heavy Atoms | 13 |
| Complexity | 140.0 |
| SMILES | CC(C)(C)C(CC1=CC=CC=C1)O |
| InChIKey | PDQJOXWPESMTAG-UHFFFAOYSA-N |
Chemical Property Profile of 3,3-Dimethyl-1-phenylbutan-2-ol
Property Insights of 3,3-Dimethyl-1-phenylbutan-2-ol
The XLogP value of 3.3 indicates that 3,3-Dimethyl-1-phenylbutan-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 3,3-Dimethyl-1-phenylbutan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-1-phenylbutan-2-ol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,3-Dimethyl-1-phenylbutan-2-ol?
The CAS number of 3,3-Dimethyl-1-phenylbutan-2-ol is 105735-63-5.
What is the molecular formula of 3,3-Dimethyl-1-phenylbutan-2-ol?
The molecular formula of 3,3-Dimethyl-1-phenylbutan-2-ol is C12H18O.
What is the molecular weight of 3,3-Dimethyl-1-phenylbutan-2-ol?
The molecular weight of 3,3-Dimethyl-1-phenylbutan-2-ol is 178.13577 g/mol.
Where can I buy 3,3-Dimethyl-1-phenylbutan-2-ol?
You can request a quote for 3,3-Dimethyl-1-phenylbutan-2-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,3-Dimethyl-1-phenylbutan-2-ol?
Yes, CoreyChem provides custom synthesis services for 3,3-Dimethyl-1-phenylbutan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.