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

C81H69F3O6 — CID 162217694

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
• PubChem CID: 162217694
• Molecular Formula: C81H69F3O6
• Molecular Weight: 1195.43 g/mol
• Exact Mass: 1194.50
• 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
• 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
• 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
• InChIKey: ZTRPZBXJTOROPM-UHFFFAOYSA-N
• XLogP: 21.58
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
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'}

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).