1-Phenylbutane-1,3-diol
TL;DR: 1-Phenylbutane-1,3-diol (CAS 118100-60-0) is a chemical compound with molecular formula C10H14O2 and molecular weight 166.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenylbutane-1,3-diol
Also Known As: 1-phenylbutane-1,3-diol, 1,3-Butanediol, 1-phenyl-, 1-phenyl-1,3-butanediol, 1-phenyl-butane-1,3-diol, 2,4-Dihydroxy-4-phenylbutan
Technical Specifications
| Molecular Formula | C10H14O2 |
| Molecular Weight | 166.09938 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.09938 Da |
| Heavy Atoms | 12 |
| Complexity | 119.0 |
| SMILES | CC(CC(C1=CC=CC=C1)O)O |
| InChIKey | QTYZWFQTOYXFBL-UHFFFAOYSA-N |
Chemical Property Profile of 1-Phenylbutane-1,3-diol
Property Insights of 1-Phenylbutane-1,3-diol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenylbutane-1,3-diol. With a topological polar surface area (TPSA) of 40.5 Ų, 1-Phenylbutane-1,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenylbutane-1,3-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
What is the CAS number of 1-Phenylbutane-1,3-diol?
The CAS number of 1-Phenylbutane-1,3-diol is 118100-60-0.
What is the molecular formula of 1-Phenylbutane-1,3-diol?
The molecular formula of 1-Phenylbutane-1,3-diol is C10H14O2.
What is the molecular weight of 1-Phenylbutane-1,3-diol?
The molecular weight of 1-Phenylbutane-1,3-diol is 166.09938 g/mol.
Where can I buy 1-Phenylbutane-1,3-diol?
You can request a quote for 1-Phenylbutane-1,3-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Phenylbutane-1,3-diol?
Yes, CoreyChem provides custom synthesis services for 1-Phenylbutane-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.