TL;DR: Acetic acid, (4-(7-methoxy-2-oxo-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)- (CAS 111038-35-8) is a chemical compound with molecular formula C24H18O6 and molecular weight 402.11035 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(7-methoxy-2-oxo-3-phenylchromen-4-yl)phenoxy]acetic acid
Also Known As: Acetic acid, (4-(7-methoxy-2-oxo-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)-, (4-(7-Methoxy-2-oxo-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)acetic acid, 2-[4-(7-methoxy-2-oxo-3-phenylchromen-4-yl)phenoxy]acetic acid, [4-(7-Methoxy-2-oxo-3-phenyl-2H-1-benzopyran-4-yl)phenoxy]acetic acid
| Molecular Formula | C24H18O6 |
| Molecular Weight | 402.11035 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.11035 Da |
| Heavy Atoms | 30 |
| Complexity | 657.0 |
| SMILES | COC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=CC=C3)C4=CC=C(C=C4)OCC(=O)O |
| InChIKey | ZZYOAFXVECIRKN-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that Acetic acid, (4-(7-methoxy-2-oxo-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, (4-(7-methoxy-2-oxo-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)-. Following Lipinski's Rule of Five, Acetic acid, (4-(7-methoxy-2-oxo-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Acetic acid, (4-(7-methoxy-2-oxo-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)- is 111038-35-8.
The molecular formula of Acetic acid, (4-(7-methoxy-2-oxo-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)- is C24H18O6.
The molecular weight of Acetic acid, (4-(7-methoxy-2-oxo-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)- is 402.11035 g/mol.
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