2-苯基-2-丙醇
TL;DR: 2-苯基-2-丙醇 (CAS 617-94-7) is a chemical compound with molecular formula C9H12O and molecular weight 136.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-苯基-2-丙醇
2-phenylpropan-2-ol
Also Known As: 2-Phenyl-2-propanol, 2-Phenylpropan-2-ol, 1-Hydroxycumene, Dimethylphenylcarbinol, Cumyl alcohol
| Molecular Formula | C9H12O |
|---|---|
| Molecular Weight | 136.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.08882 |
| Heavy Atoms | 10 |
| Complexity | 101.0 |
| Melting Point | 36 °C |
| Boiling Point | 202 °C @ 760 MM HG |
| Density | 0.9735 @ 20 °C |
| Solubility | INSOL IN WATER; SOL IN ETHANOL, ETHER, BENZENE |
| Vapor Pressure | Vapor pressure = 0.52 mm Hg at 37.8 °C |
| Refractive Index | 1.5325 @ 20 °C |
Chemical Identifiers
| CAS Number | 617-94-7 |
|---|---|
| SMILES | CC(C)(C1=CC=CC=C1)O |
| InChIKey | BDCFWIDZNLCTMF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-苯基-2-丙醇 (CAS 617-94-7), with molecular formula C9H12O and molecular weight 136.09 g/mol. IUPAC: 2-phenylpropan-2-ol.
Chemical Property Profile of 2-苯基-2-丙醇
Property Insights of 2-苯基-2-丙醇
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-苯基-2-丙醇. With a topological polar surface area (TPSA) of 20.2 Ų, 2-苯基-2-丙醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-苯基-2-丙醇 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
Frequently Asked Questions
What is the CAS number of 2-苯基-2-丙醇?
The CAS number of 2-苯基-2-丙醇 is 617-94-7.
What is the molecular formula of 2-苯基-2-丙醇?
The molecular formula of 2-苯基-2-丙醇 is C9H12O.
What is the molecular weight of 2-苯基-2-丙醇?
The molecular weight of 2-苯基-2-丙醇 is 136.09 g/mol.
Where can I buy 2-苯基-2-丙醇?
You can request a quote for 2-苯基-2-丙醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-苯基-2-丙醇?
Yes, KEHONG BIO provides custom synthesis services for 2-苯基-2-丙醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.