2-Phenoxy-1-propanol
TL;DR: 2-Phenoxy-1-propanol (CAS 4169-04-4) is a chemical compound with molecular formula C9H12O2 and molecular weight 152.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenoxypropan-1-ol
Also Known As: 2-Phenoxypropanol, 2-phenoxypropan-1-ol, 2-Phenoxy-1-propanol, Phenoxyisopropanol, 2-Phenoxypropyl alcohol
| Molecular Formula | C9H12O2 |
|---|---|
| Molecular Weight | 152.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.08372 |
| Heavy Atoms | 11 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 4169-04-4 |
|---|---|
| SMILES | CC(CO)OC1=CC=CC=C1 |
| InChIKey | LOJHHQNEBFCTQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenoxy-1-propanol (CAS 4169-04-4), with molecular formula C9H12O2 and molecular weight 152.08 g/mol. IUPAC: 2-phenoxypropan-1-ol.
Chemical Property Profile of 2-Phenoxy-1-propanol
Property Insights of 2-Phenoxy-1-propanol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenoxy-1-propanol. With a topological polar surface area (TPSA) of 29.5 Ų, 2-Phenoxy-1-propanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenoxy-1-propanol 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 2-Phenoxy-1-propanol?
The CAS number of 2-Phenoxy-1-propanol is 4169-04-4.
What is the molecular formula of 2-Phenoxy-1-propanol?
The molecular formula of 2-Phenoxy-1-propanol is C9H12O2.
What is the molecular weight of 2-Phenoxy-1-propanol?
The molecular weight of 2-Phenoxy-1-propanol is 152.08 g/mol.
Where can I buy 2-Phenoxy-1-propanol?
You can request a quote for 2-Phenoxy-1-propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenoxy-1-propanol?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenoxy-1-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.