About 2-fluoro-4-[[3-fluoro-4-(4-methylphenyl)phenoxy]methoxy]-1-(4-methylphenyl)benzene;2-fluoro-1-(4-methylphenyl)-4-[[4-(4-methylphenyl)phenoxy]methoxy]benzene;1-methyl-4-[4-[[4-(4-methylphenyl)phenoxy]methoxy]phenyl]benzene
2-fluoro-4-[[3-fluoro-4-(4-methylphenyl)phenoxy]methoxy]-1-(4-methylphenyl)benzene;2-fluoro-1-(4-methylphenyl)-4-[[4-(4-methylphenyl)phenoxy]methoxy]benzene;1-methyl-4-[4-[[4-(4-methylphenyl)phenoxy]methoxy]phenyl]benzene (PubChem CID 162217694) has the molecular formula C81H69F3O6
and a molecular weight of 1195.43 g/mol. Its IUPAC name is 2-fluoro-4-[[3-fluoro-4-(4-methylphenyl)phenoxy]methoxy]-1-(4-methylphenyl)benzene;2-fluoro-1-(4-methylphenyl)-4-[[4-(4-methylphenyl)phenoxy]methoxy]benzene;1-methyl-4-[4-[[4-(4-methylphenyl)phenoxy]methoxy]phenyl]benzene.
Molecular Properties
| Compound Name | 2-fluoro-4-[[3-fluoro-4-(4-methylphenyl)phenoxy]methoxy]-1-(4-methylphenyl)benzene;2-fluoro-1-(4-methylphenyl)-4-[[4-(4-methylphenyl)phenoxy]methoxy]benzene;1-methyl-4-[4-[[4-(4-methylphenyl)phenoxy]methoxy]phenyl]benzene |
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| PubChem CID | 162217694 |
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| Molecular Formula | C81H69F3O6 |
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| Molecular Weight | 1195.43 g/mol |
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| Exact Mass | 1194.50 |
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| IUPAC Name | 2-fluoro-4-[[3-fluoro-4-(4-methylphenyl)phenoxy]methoxy]-1-(4-methylphenyl)benzene;2-fluoro-1-(4-methylphenyl)-4-[[4-(4-methylphenyl)phenoxy]methoxy]benzene;1-methyl-4-[4-[[4-(4-methylphenyl)phenoxy]methoxy]phenyl]benzene |
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| SMILES | Cc1ccc(-c2ccc(OCOc3ccc(-c4ccc(C)cc4)c(F)c3)cc2)cc1.Cc1ccc(-c2ccc(OCOc3ccc(-c4ccc(C)cc4)c(F)c3)cc2F)cc1.Cc1ccc(-c2ccc(OCOc3ccc(-c4ccc(C)cc4)cc3)cc2)cc1 |
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| InChI | InChI=1S/C27H22F2O2.C27H23FO2.C27H24O2/c1-18-3-7-20(8-4-18)24-13-11-22(15-26(24)28)30-17-31-23-12-14-25(27(29)16-23)21-9-5-19(2)6-10-21;1-19-3-7-21(8-4-19)22-11-13-24(14-12-22)29-18-30-25-15-16-26(27(28)17-25)23-9-5-20(2)6-10-23;1-20-3-7-22(8-4-20)24-11-15-26(16-12-24)28-19-29-27-17-13-25(14-18-27)23-9-5-21(2)6-10-23/h3-16H,17H2,1-2H3;3-17H,18H2,1-2H3;3-18H,19H2,1-2H3 |
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| InChIKey | ZTRPZBXJTOROPM-UHFFFAOYSA-N |
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| XLogP | 21.58 |
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| TPSA | 55.38 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 18 |
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| Heavy Atoms | 90 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1195.43 |
| LogP ≤ 5 | 21.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
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Analyze 2-fluoro-4-[[3-fluoro-4-(4-methylphenyl)phenoxy]methoxy]-1-(4-methylphenyl)benzene;2-fluoro-1-(4-methylphenyl)-4-[[4-(4-methylphenyl)phenoxy]methoxy]benzene;1-methyl-4-[4-[[4-(4-methylphenyl)phenoxy]methoxy]phenyl]benzene with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-fluoro-4-[[3-fluoro-4-(4-methylphenyl)phenoxy]methoxy]-1-(4-methylphenyl)benzene;2-fluoro-1-(4-methylphenyl)-4-[[4-(4-methylphenyl)phenoxy]methoxy]benzene;1-methyl-4-[4-[[4-(4-methylphenyl)phenoxy]methoxy]phenyl]benzene?
The IUPAC name of 2-fluoro-4-[[3-fluoro-4-(4-methylphenyl)phenoxy]methoxy]-1-(4-methylphenyl)benzene;2-fluoro-1-(4-methylphenyl)-4-[[4-(4-methylphenyl)phenoxy]methoxy]benzene;1-methyl-4-[4-[[4-(4-methylphenyl)phenoxy]methoxy]phenyl]benzene (CID 162217694) is 2-fluoro-4-[[3-fluoro-4-(4-methylphenyl)phenoxy]methoxy]-1-(4-methylphenyl)benzene;2-fluoro-1-(4-methylphenyl)-4-[[4-(4-methylphenyl)phenoxy]methoxy]benzene;1-methyl-4-[4-[[4-(4-methylphenyl)phenoxy]methoxy]phenyl]benzene.
What is the SMILES notation for 2-fluoro-4-[[3-fluoro-4-(4-methylphenyl)phenoxy]methoxy]-1-(4-methylphenyl)benzene;2-fluoro-1-(4-methylphenyl)-4-[[4-(4-methylphenyl)phenoxy]methoxy]benzene;1-methyl-4-[4-[[4-(4-methylphenyl)phenoxy]methoxy]phenyl]benzene?
The canonical SMILES for 2-fluoro-4-[[3-fluoro-4-(4-methylphenyl)phenoxy]methoxy]-1-(4-methylphenyl)benzene;2-fluoro-1-(4-methylphenyl)-4-[[4-(4-methylphenyl)phenoxy]methoxy]benzene;1-methyl-4-[4-[[4-(4-methylphenyl)phenoxy]methoxy]phenyl]benzene is Cc1ccc(-c2ccc(OCOc3ccc(-c4ccc(C)cc4)c(F)c3)cc2)cc1.Cc1ccc(-c2ccc(OCOc3ccc(-c4ccc(C)cc4)c(F)c3)cc2F)cc1.Cc1ccc(-c2ccc(OCOc3ccc(-c4ccc(C)cc4)cc3)cc2)cc1.
What is the InChIKey of 2-fluoro-4-[[3-fluoro-4-(4-methylphenyl)phenoxy]methoxy]-1-(4-methylphenyl)benzene;2-fluoro-1-(4-methylphenyl)-4-[[4-(4-methylphenyl)phenoxy]methoxy]benzene;1-methyl-4-[4-[[4-(4-methylphenyl)phenoxy]methoxy]phenyl]benzene?
The InChIKey is ZTRPZBXJTOROPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F2O2.C27H23FO2.C27H24O2/c1-18-3-7-20(8-4-18)24-13-11-22(15-26(24)28)30-17-31-23-12-14-25(27(29)16-23)21-9-5-19(2)6-10-21;1-19-3-7-21(8-4-19)22-11-13-24(14-12-22)29-18-30-25-15-16-26(27(28)17-25)23-9-5-20(2)6-10-23;1-20-3-7-22(8-4-20)24-11-15-26(16-12-24)28-19-29-27-17-13-25(14-18-27)23-9-5-21(2)6-10-23/h3-16H,17H2,1-2H3;3-17H,18H2,1-2H3;3-18H,19H2,1-2H3.
What are the key properties of 2-fluoro-4-[[3-fluoro-4-(4-methylphenyl)phenoxy]methoxy]-1-(4-methylphenyl)benzene;2-fluoro-1-(4-methylphenyl)-4-[[4-(4-methylphenyl)phenoxy]methoxy]benzene;1-methyl-4-[4-[[4-(4-methylphenyl)phenoxy]methoxy]phenyl]benzene?
2-fluoro-4-[[3-fluoro-4-(4-methylphenyl)phenoxy]methoxy]-1-(4-methylphenyl)benzene;2-fluoro-1-(4-methylphenyl)-4-[[4-(4-methylphenyl)phenoxy]methoxy]benzene;1-methyl-4-[4-[[4-(4-methylphenyl)phenoxy]methoxy]phenyl]benzene has a molecular weight of 1195.43 g/mol, XLogP of 21.58, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[3-fluoro-4-(4-methylphenyl)phenoxy]methoxy]-1-(4-methylphenyl)benzene;2-fluoro-1-(4-methylphenyl)-4-[[4-(4-methylphenyl)phenoxy]methoxy]benzene;1-methyl-4-[4-[[4-(4-methylphenyl)phenoxy]methoxy]phenyl]benzene is sourced from PubChem (CID 162217694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).