alpha,alpha'-Dihydroxy-1,3-diisopropylbenzene
TL;DR: alpha,alpha'-Dihydroxy-1,3-diisopropylbenzene (CAS 1999-85-5) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
Also Known As: alpha,alpha'-Dihydroxy-1,3-diisopropylbenzene, Meta-diol, 2,2'-(1,3-Phenylene)bis(propan-2-ol), 2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol, 1,3-bis(2-hydroxy-2-propyl)benzene
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 1999-85-5 |
|---|---|
| SMILES | CC(C)(C1=CC(=CC=C1)C(C)(C)O)O |
| InChIKey | UGPWRRVOLLMHSC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha,alpha'-Dihydroxy-1,3-diisopropylbenzene (CAS 1999-85-5), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: 2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol.
Chemical Property Profile of alpha,alpha'-Dihydroxy-1,3-diisopropylbenzene
Property Insights of alpha,alpha'-Dihydroxy-1,3-diisopropylbenzene
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha,alpha'-Dihydroxy-1,3-diisopropylbenzene. With a topological polar surface area (TPSA) of 40.5 Ų, alpha,alpha'-Dihydroxy-1,3-diisopropylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha,alpha'-Dihydroxy-1,3-diisopropylbenzene 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
Frequently Asked Questions
What is the CAS number of alpha,alpha'-Dihydroxy-1,3-diisopropylbenzene?
The CAS number of alpha,alpha'-Dihydroxy-1,3-diisopropylbenzene is 1999-85-5.
What is the molecular formula of alpha,alpha'-Dihydroxy-1,3-diisopropylbenzene?
The molecular formula of alpha,alpha'-Dihydroxy-1,3-diisopropylbenzene is C12H18O2.
What is the molecular weight of alpha,alpha'-Dihydroxy-1,3-diisopropylbenzene?
The molecular weight of alpha,alpha'-Dihydroxy-1,3-diisopropylbenzene is 194.13 g/mol.
Where can I buy alpha,alpha'-Dihydroxy-1,3-diisopropylbenzene?
You can request a quote for alpha,alpha'-Dihydroxy-1,3-diisopropylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha,alpha'-Dihydroxy-1,3-diisopropylbenzene?
Yes, KEHONG BIO provides custom synthesis services for alpha,alpha'-Dihydroxy-1,3-diisopropylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.