TL;DR: Acetic acid, (4-(7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)- (CAS 111038-39-2) is a chemical compound with molecular formula C26H24O5 and molecular weight 416.16238 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(7-methoxy-2,2-dimethyl-3-phenylchromen-4-yl)phenoxy]acetic acid
Also Known As: Acetic acid, (4-(7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)-, (4-(7-Methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)acetic acid, 2,2-Dimethyl-3-phenyl-4-(p-carboxymethyloxyphenyl)-7-methoxychromene, 2-[4-(7-methoxy-2,2-dimethyl-3-phenylchromen-4-yl)phenoxy]acetic acid, [4-(7-Methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy]acetic acid
| Molecular Formula | C26H24O5 |
| Molecular Weight | 416.16238 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.16238 Da |
| Heavy Atoms | 31 |
| Complexity | 655.0 |
| SMILES | CC1(C(=C(C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)OCC(=O)O)C4=CC=CC=C4)C |
| InChIKey | SYQVYKVSERRSIC-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that Acetic acid, (4-(7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, (4-(7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)-. Following Lipinski's Rule of Five, Acetic acid, (4-(7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Acetic acid, (4-(7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)- is 111038-39-2.
The molecular formula of Acetic acid, (4-(7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)- is C26H24O5.
The molecular weight of Acetic acid, (4-(7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)- is 416.16238 g/mol.
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