p-Hydroxydiisopropylbenzene
TL;DR: p-Hydroxydiisopropylbenzene (CAS 3445-42-9) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-propan-2-ylphenyl)propan-2-ol
Also Known As: p-Hydroxydiisopropylbenzene, p-Oxidiisopropylbenzene, 2-(4-iso-propylphenyl)-2-propanol, 2-(4-propan-2-ylphenyl)propan-2-ol, 2-(4-isopropylphenyl)propan-2-ol
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 3445-42-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(C)(C)O |
| InChIKey | VBSMBCNJCBKQFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Hydroxydiisopropylbenzene (CAS 3445-42-9), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 2-(4-propan-2-ylphenyl)propan-2-ol.
Chemical Property Profile of p-Hydroxydiisopropylbenzene
Property Insights of p-Hydroxydiisopropylbenzene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Hydroxydiisopropylbenzene. With a topological polar surface area (TPSA) of 20.2 Ų, p-Hydroxydiisopropylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Hydroxydiisopropylbenzene 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 p-Hydroxydiisopropylbenzene?
The CAS number of p-Hydroxydiisopropylbenzene is 3445-42-9.
What is the molecular formula of p-Hydroxydiisopropylbenzene?
The molecular formula of p-Hydroxydiisopropylbenzene is C12H18O.
What is the molecular weight of p-Hydroxydiisopropylbenzene?
The molecular weight of p-Hydroxydiisopropylbenzene is 178.14 g/mol.
Where can I buy p-Hydroxydiisopropylbenzene?
You can request a quote for p-Hydroxydiisopropylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Hydroxydiisopropylbenzene?
Yes, KEHONG BIO provides custom synthesis services for p-Hydroxydiisopropylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.