3-(4-Methoxybenzoylmethyl)benzoic acid
TL;DR: 3-(4-Methoxybenzoylmethyl)benzoic acid (CAS 33533-90-3) is a chemical compound with molecular formula C16H14O4 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-methoxyphenyl)-2-oxoethyl]benzoic acid
Also Known As: o-Toluic, o-Toluic acid, alpha-(p-methoxybenzoyl)-, 2-[2-(4-methoxyphenyl)-2-oxoethyl]benzoic acid, o-Toluic acid, .alpha.-p-anisoyl-, o-Toluic acid, alpha-p-anisoyl-
| Molecular Formula | C16H14O4 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.0892 |
| Heavy Atoms | 20 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 33533-90-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CC2=CC=CC=C2C(=O)O |
| InChIKey | DPXWHZUTDZONDB-UHFFFAOYSA-N |
Product Overview
3-(4-Methoxybenzoylmethyl)benzoic acid (CAS 33533-90-3), with molecular formula C16H14O4 and molecular weight 270.09 g/mol. IUPAC: 2-[2-(4-methoxyphenyl)-2-oxoethyl]benzoic acid.
Chemical Property Profile of 3-(4-Methoxybenzoylmethyl)benzoic acid
Property Insights of 3-(4-Methoxybenzoylmethyl)benzoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methoxybenzoylmethyl)benzoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methoxybenzoylmethyl)benzoic acid. Following Lipinski's Rule of Five, 3-(4-Methoxybenzoylmethyl)benzoic acid has 1 hydrogen bond donor(s) and 4 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-(4-Methoxybenzoylmethyl)benzoic acid?
The CAS number of 3-(4-Methoxybenzoylmethyl)benzoic acid is 33533-90-3.
What is the molecular formula of 3-(4-Methoxybenzoylmethyl)benzoic acid?
The molecular formula of 3-(4-Methoxybenzoylmethyl)benzoic acid is C16H14O4.
What is the molecular weight of 3-(4-Methoxybenzoylmethyl)benzoic acid?
The molecular weight of 3-(4-Methoxybenzoylmethyl)benzoic acid is 270.09 g/mol.
Where can I buy 3-(4-Methoxybenzoylmethyl)benzoic acid?
You can request a quote for 3-(4-Methoxybenzoylmethyl)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-(4-Methoxybenzoylmethyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methoxybenzoylmethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.