TL;DR: Acetic acid, (m-benzoylphenoxy)- (CAS 76981-43-6) is a chemical compound with molecular formula C15H12O4 and molecular weight 256.07355 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-benzoylphenoxy)acetic acid
Also Known As: 2-(m-Benzoylphenoxy)acetic acid, ACETIC ACID, (m-BENZOYLPHENOXY)-, 2-(3-benzoylphenoxy)acetic acid, (3-Benzoylphenoxy)acetic acid, (m-Benzoylphenyloxy)acetic acid
| Molecular Formula | C15H12O4 |
| Molecular Weight | 256.07355 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.07355 Da |
| Heavy Atoms | 19 |
| Complexity | 320.0 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)OCC(=O)O |
| InChIKey | CHEIRSAFNUUELX-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, (m-benzoylphenoxy)-. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, (m-benzoylphenoxy)-. Following Lipinski's Rule of Five, Acetic acid, (m-benzoylphenoxy)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Acetic acid, (m-benzoylphenoxy)- is 76981-43-6.
The molecular formula of Acetic acid, (m-benzoylphenoxy)- is C15H12O4.
The molecular weight of Acetic acid, (m-benzoylphenoxy)- is 256.07355 g/mol.
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