3-(1-Hydroxy-1-methylethyl)-benzoic acid
TL;DR: 3-(1-Hydroxy-1-methylethyl)-benzoic acid (CAS 40912-34-3) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxypropan-2-yl)benzoic acid
Also Known As: 3-(2-hydroxypropan-2-yl)benzoic acid, 3-(1-hydroxy-1-methylethyl)benzoic acid, 3-(1-hydroxy-isopropyl)benzoic acid, 3-(1-Hydroxy-1-methyl-ethyl)-benzoic acid, m-(1-Hydroxy-1-methylethyl)benzoic acid
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 1.6122 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 323.1869 |
Chemical Identifiers
| CAS Number | 40912-34-3 |
|---|---|
| SMILES | CC(C)(C1=CC=CC(=C1)C(=O)O)O |
Product Overview
3-(1-Hydroxy-1-methylethyl)-benzoic acid (CAS 40912-34-3), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: 3-(2-hydroxypropan-2-yl)benzoic acid.
Chemical Property Profile of 3-(1-Hydroxy-1-methylethyl)-benzoic acid
Property Insights of 3-(1-Hydroxy-1-methylethyl)-benzoic acid
The XLogP value of 1.6122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Hydroxy-1-methylethyl)-benzoic acid. With a topological polar surface area (TPSA) of 57.53 Ų, 3-(1-Hydroxy-1-methylethyl)-benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Hydroxy-1-methylethyl)-benzoic acid 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 3-(1-Hydroxy-1-methylethyl)-benzoic acid?
The CAS number of 3-(1-Hydroxy-1-methylethyl)-benzoic acid is 40912-34-3.
What is the molecular formula of 3-(1-Hydroxy-1-methylethyl)-benzoic acid?
The molecular formula of 3-(1-Hydroxy-1-methylethyl)-benzoic acid is C10H12O3.
What is the molecular weight of 3-(1-Hydroxy-1-methylethyl)-benzoic acid?
The molecular weight of 3-(1-Hydroxy-1-methylethyl)-benzoic acid is 180.08 g/mol.
Where can I buy 3-(1-Hydroxy-1-methylethyl)-benzoic acid?
You can request a quote for 3-(1-Hydroxy-1-methylethyl)-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Hydroxy-1-methylethyl)-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Hydroxy-1-methylethyl)-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.