2-Phenyl-1,3-propanediol
TL;DR: 2-Phenyl-1,3-propanediol (CAS 1029872-54-5) is a chemical compound with molecular formula C9H12O2 and molecular weight 152.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenylpropane-1,3-diol
Also Known As: 2-PHENYL-1,3-PROPANEDIOL, 2-phenylpropane-1,3-diol, phenylpropanediol, 1,3-Propanediol, 2-phenyl-, 2-phenyl-propane-1,3-diol
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H12O2 |
| Molecular Weight | 152.08372 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.08372 Da |
| Heavy Atoms | 11 |
| Complexity | 93.0 |
| SMILES | C1=CC=C(C=C1)C(CO)CO |
| InChIKey | BPBDZXFJDMJLIB-UHFFFAOYSA-N |
Chemical Property Profile of 2-Phenyl-1,3-propanediol
Property Insights of 2-Phenyl-1,3-propanediol
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-1,3-propanediol. With a topological polar surface area (TPSA) of 40.5 Ų, 2-Phenyl-1,3-propanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-1,3-propanediol 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 2-Phenyl-1,3-propanediol?
The CAS number of 2-Phenyl-1,3-propanediol is 1029872-54-5.
What is the molecular formula of 2-Phenyl-1,3-propanediol?
The molecular formula of 2-Phenyl-1,3-propanediol is C9H12O2.
What is the molecular weight of 2-Phenyl-1,3-propanediol?
The molecular weight of 2-Phenyl-1,3-propanediol is 152.08372 g/mol.
Where can I buy 2-Phenyl-1,3-propanediol?
You can request a quote for 2-Phenyl-1,3-propanediol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Phenyl-1,3-propanediol?
Yes, CoreyChem provides custom synthesis services for 2-Phenyl-1,3-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.