TL;DR: Benzene, 1-(3-phenoxyphenoxy)-3-(4-phenoxyphenoxy)- (CAS 13281-14-6) is a chemical compound with molecular formula C30H22O4 and molecular weight 446.1518 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenoxy-3-[3-(4-phenoxyphenoxy)phenoxy]benzene
Also Known As: 1-phenoxy-3-[3-(4-phenoxyphenoxy)phenoxy]benzene, Benzene, 1-(3-phenoxyphenoxy)-3-(4-phenoxyphenoxy)-, 1-(m-Phenoxyphenoxy)-3-(p-phenoxyphenoxy)benzene, 1-phenoxy-3-(3-(4-phenoxyphenoxy)phenoxy)benzene, 1-(3-Phenoxyphenoxy)-3-(4-phenoxyphenoxy)benzene
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C30H22O4 |
| Molecular Weight | 446.1518 g/mol |
| XLogP | 8.0 |
| Topological Polar Surface Area (TPSA) | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.1518 Da |
| Heavy Atoms | 34 |
| Complexity | 562.0 |
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)OC3=CC(=CC=C3)OC4=CC=CC(=C4)OC5=CC=CC=C5 |
| InChIKey | SVFHRCOHIYYWMR-UHFFFAOYSA-N |
The XLogP value of 8.0 indicates that Benzene, 1-(3-phenoxyphenoxy)-3-(4-phenoxyphenoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.9 Ų, Benzene, 1-(3-phenoxyphenoxy)-3-(4-phenoxyphenoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-(3-phenoxyphenoxy)-3-(4-phenoxyphenoxy)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzene, 1-(3-phenoxyphenoxy)-3-(4-phenoxyphenoxy)- is 13281-14-6.
The molecular formula of Benzene, 1-(3-phenoxyphenoxy)-3-(4-phenoxyphenoxy)- is C30H22O4.
The molecular weight of Benzene, 1-(3-phenoxyphenoxy)-3-(4-phenoxyphenoxy)- is 446.1518 g/mol.
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