3-Isopropoxybenzoic acid
TL;DR: 3-Isopropoxybenzoic acid (CAS 612-69-1) 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-propan-2-yloxybenzoic acid
Also Known As: 3-isopropoxybenzoic acid, 3-propan-2-yloxybenzoic acid, 3-IsopropoxybenzoicAcid, 3-iso-propoxybenzoic acid, 3-isopropoxy benzoic acid
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 612-69-1 |
|---|---|
| SMILES | CC(C)OC1=CC=CC(=C1)C(=O)O |
| InChIKey | QPVBLLQBUNVSJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Isopropoxybenzoic acid (CAS 612-69-1), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: 3-propan-2-yloxybenzoic acid.
Chemical Property Profile of 3-Isopropoxybenzoic acid
Property Insights of 3-Isopropoxybenzoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isopropoxybenzoic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Isopropoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isopropoxybenzoic acid has 1 hydrogen bond donor(s) and 3 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-Isopropoxybenzoic acid?
The CAS number of 3-Isopropoxybenzoic acid is 612-69-1.
What is the molecular formula of 3-Isopropoxybenzoic acid?
The molecular formula of 3-Isopropoxybenzoic acid is C10H12O3.
What is the molecular weight of 3-Isopropoxybenzoic acid?
The molecular weight of 3-Isopropoxybenzoic acid is 180.08 g/mol.
Where can I buy 3-Isopropoxybenzoic acid?
You can request a quote for 3-Isopropoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isopropoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Isopropoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.