2-(3-Tolyl)-2-propanol
TL;DR: 2-(3-Tolyl)-2-propanol (CAS 52413-17-9) is a chemical compound with molecular formula C10H14O and molecular weight 150.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylphenyl)propan-2-ol
Also Known As: 2-(3-methylphenyl)propan-2-ol, m-Cymen-8-ol, m-Cymenol, 2-(3-Methylphenyl)-2-propanol, 2-(m-Tolyl)propan-2-ol
| Molecular Formula | C10H14O |
|---|---|
| Molecular Weight | 150.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.10446 |
| Heavy Atoms | 11 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 52413-17-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(C)(C)O |
| InChIKey | NARIBLVZTLPQJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-Tolyl)-2-propanol (CAS 52413-17-9), with molecular formula C10H14O and molecular weight 150.10 g/mol. IUPAC: 2-(3-methylphenyl)propan-2-ol.
Chemical Property Profile of 2-(3-Tolyl)-2-propanol
Property Insights of 2-(3-Tolyl)-2-propanol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Tolyl)-2-propanol. With a topological polar surface area (TPSA) of 20.2 Ų, 2-(3-Tolyl)-2-propanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Tolyl)-2-propanol 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-(3-Tolyl)-2-propanol?
The CAS number of 2-(3-Tolyl)-2-propanol is 52413-17-9.
What is the molecular formula of 2-(3-Tolyl)-2-propanol?
The molecular formula of 2-(3-Tolyl)-2-propanol is C10H14O.
What is the molecular weight of 2-(3-Tolyl)-2-propanol?
The molecular weight of 2-(3-Tolyl)-2-propanol is 150.10 g/mol.
Where can I buy 2-(3-Tolyl)-2-propanol?
You can request a quote for 2-(3-Tolyl)-2-propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Tolyl)-2-propanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Tolyl)-2-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.