4-异丙基苯酚
TL;DR: 4-异丙基苯酚 (CAS 99-89-8) 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.
4-异丙基苯酚
4-propan-2-ylphenol
Also Known As: 4-Isopropylphenol, p-Cumenol, P-ISOPROPYLPHENOL, Australol, 4-(1-Methylethyl)phenol
| Molecular Formula | C9H12O |
|---|---|
| Molecular Weight | 136.09 g/mol |
| LogP | 2.9 |
| 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 | 90.0 |
| Melting Point | 62.3 °C |
| Boiling Point | 222.00 to 223.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 99-89-8 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)O |
| InChIKey | YQUQWHNMBPIWGK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-异丙基苯酚 (CAS 99-89-8), with molecular formula C9H12O and molecular weight 136.09 g/mol. IUPAC: 4-propan-2-ylphenol.
Chemical Property Profile of 4-异丙基苯酚
Property Insights of 4-异丙基苯酚
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-异丙基苯酚. With a topological polar surface area (TPSA) of 20.2 Ų, 4-异丙基苯酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-异丙基苯酚 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 4-异丙基苯酚?
The CAS number of 4-异丙基苯酚 is 99-89-8.
What is the molecular formula of 4-异丙基苯酚?
The molecular formula of 4-异丙基苯酚 is C9H12O.
What is the molecular weight of 4-异丙基苯酚?
The molecular weight of 4-异丙基苯酚 is 136.09 g/mol.
Where can I buy 4-异丙基苯酚?
You can request a quote for 4-异丙基苯酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-异丙基苯酚?
Yes, KEHONG BIO provides custom synthesis services for 4-异丙基苯酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.