5-[(E)-N-[(2-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(3-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(3-fluoro-5-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(2-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;bis(2-methyl-5-[(E)-C-methyl-N-[(3-methylphenyl)methoxy]carbonimidoyl]phenol);2-methyl-5-[(E)-C-methyl-N-[(4-methylphenyl)methoxy]carbonimidoyl]phenol

C118H127F4N7O14 — CID 172927950

About 5-[(E)-N-[(2-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(3-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(3-fluoro-5-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(2-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;bis(2-methyl-5-[(E)-C-methyl-N-[(3-methylphenyl)methoxy]carbonimidoyl]phenol);2-methyl-5-[(E)-C-methyl-N-[(4-methylphenyl)methoxy]carbonimidoyl]phenol

5-[(E)-N-[(2-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(3-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(3-fluoro-5-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(2-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;bis(2-methyl-5-[(E)-C-methyl-N-[(3-methylphenyl)methoxy]carbonimidoyl]phenol);2-methyl-5-[(E)-C-methyl-N-[(4-methylphenyl)methoxy]carbonimidoyl]phenol (PubChem CID 172927950) has the molecular formula C118H127F4N7O14 and a molecular weight of 1943.34 g/mol. Its IUPAC name is 5-[(E)-N-[(2-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(3-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(3-fluoro-5-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(2-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;bis(2-methyl-5-[(E)-C-methyl-N-[(3-methylphenyl)methoxy]carbonimidoyl]phenol);2-methyl-5-[(E)-C-methyl-N-[(4-methylphenyl)methoxy]carbonimidoyl]phenol.

Molecular Properties

• Compound Name: 5-[(E)-N-[(2-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(3-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(3-fluoro-5-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(2-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;bis(2-methyl-5-[(E)-C-methyl-N-[(3-methylphenyl)methoxy]carbonimidoyl]phenol);2-methyl-5-[(E)-C-methyl-N-[(4-methylphenyl)methoxy]carbonimidoyl]phenol
• PubChem CID: 172927950
• Molecular Formula: C118H127F4N7O14
• Molecular Weight: 1943.34 g/mol
• Exact Mass: 1941.94
• IUPAC Name: 5-[(E)-N-[(2-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(3-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(3-fluoro-5-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(2-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;bis(2-methyl-5-[(E)-C-methyl-N-[(3-methylphenyl)methoxy]carbonimidoyl]phenol);2-methyl-5-[(E)-C-methyl-N-[(4-methylphenyl)methoxy]carbonimidoyl]phenol
• SMILES: C/C(=N\OCc1cc(C)cc(F)c1)c1ccc(C)c(O)c1.C/C(=N\OCc1ccc(C)c(F)c1)c1ccc(C)c(O)c1.C/C(=N\OCc1ccc(C)cc1)c1ccc(C)c(O)c1.C/C(=N\OCc1ccc(C)cc1F)c1ccc(C)c(O)c1.C/C(=N\OCc1cccc(C)c1)c1ccc(C)c(O)c1.C/C(=N\OCc1cccc(C)c1)c1ccc(C)c(O)c1.C/C(=N\OCc1ccccc1F)c1ccc(C)c(O)c1
• InChI: InChI=1S/3C17H18FNO2.3C17H19NO2.C16H16FNO2/c1-11-4-6-14(8-16(11)18)10-21-19-13(3)15-7-5-12(2)17(20)9-15;1-11-4-6-15(16(18)8-11)10-21-19-13(3)14-7-5-12(2)17(20)9-14;1-11-6-14(8-16(18)7-11)10-21-19-13(3)15-5-4-12(2)17(20)9-15;1-12-4-7-15(8-5-12)11-20-18-14(3)16-9-6-13(2)17(19)10-16;2*1-12-5-4-6-15(9-12)11-20-18-14(3)16-8-7-13(2)17(19)10-16;1-11-7-8-13(9-16(11)19)12(2)18-20-10-14-5-3-4-6-15(14)17/h3*4-9,20H,10H2,1-3H3;3*4-10,19H,11H2,1-3H3;3-9,19H,10H2,1-2H3/b3*19-13+;3*18-14+;18-12+
• InChIKey: DQDIDOCGRXYXEP-ZEJUCLDESA-N
• XLogP: 27.90
• TPSA: 292.74 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 28
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1943.34
LogP ≤ 5	27.90
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-N-[(2-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(3-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(3-fluoro-5-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(2-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;bis(2-methyl-5-[(E)-C-methyl-N-[(3-methylphenyl)methoxy]carbonimidoyl]phenol);2-methyl-5-[(E)-C-methyl-N-[(4-methylphenyl)methoxy]carbonimidoyl]phenol?

The IUPAC name of 5-[(E)-N-[(2-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(3-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(3-fluoro-5-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(2-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;bis(2-methyl-5-[(E)-C-methyl-N-[(3-methylphenyl)methoxy]carbonimidoyl]phenol);2-methyl-5-[(E)-C-methyl-N-[(4-methylphenyl)methoxy]carbonimidoyl]phenol (CID 172927950) is 5-[(E)-N-[(2-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(3-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(3-fluoro-5-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(2-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;bis(2-methyl-5-[(E)-C-methyl-N-[(3-methylphenyl)methoxy]carbonimidoyl]phenol);2-methyl-5-[(E)-C-methyl-N-[(4-methylphenyl)methoxy]carbonimidoyl]phenol.

What is the SMILES notation for 5-[(E)-N-[(2-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(3-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(3-fluoro-5-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(2-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;bis(2-methyl-5-[(E)-C-methyl-N-[(3-methylphenyl)methoxy]carbonimidoyl]phenol);2-methyl-5-[(E)-C-methyl-N-[(4-methylphenyl)methoxy]carbonimidoyl]phenol?

The canonical SMILES for 5-[(E)-N-[(2-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(3-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(3-fluoro-5-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(2-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;bis(2-methyl-5-[(E)-C-methyl-N-[(3-methylphenyl)methoxy]carbonimidoyl]phenol);2-methyl-5-[(E)-C-methyl-N-[(4-methylphenyl)methoxy]carbonimidoyl]phenol is C/C(=N\OCc1cc(C)cc(F)c1)c1ccc(C)c(O)c1.C/C(=N\OCc1ccc(C)c(F)c1)c1ccc(C)c(O)c1.C/C(=N\OCc1ccc(C)cc1)c1ccc(C)c(O)c1.C/C(=N\OCc1ccc(C)cc1F)c1ccc(C)c(O)c1.C/C(=N\OCc1cccc(C)c1)c1ccc(C)c(O)c1.C/C(=N\OCc1cccc(C)c1)c1ccc(C)c(O)c1.C/C(=N\OCc1ccccc1F)c1ccc(C)c(O)c1.

What is the InChIKey of 5-[(E)-N-[(2-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(3-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(3-fluoro-5-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(2-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;bis(2-methyl-5-[(E)-C-methyl-N-[(3-methylphenyl)methoxy]carbonimidoyl]phenol);2-methyl-5-[(E)-C-methyl-N-[(4-methylphenyl)methoxy]carbonimidoyl]phenol?

The InChIKey is DQDIDOCGRXYXEP-ZEJUCLDESA-N. The full InChI is InChI=1S/3C17H18FNO2.3C17H19NO2.C16H16FNO2/c1-11-4-6-14(8-16(11)18)10-21-19-13(3)15-7-5-12(2)17(20)9-15;1-11-4-6-15(16(18)8-11)10-21-19-13(3)14-7-5-12(2)17(20)9-14;1-11-6-14(8-16(18)7-11)10-21-19-13(3)15-5-4-12(2)17(20)9-15;1-12-4-7-15(8-5-12)11-20-18-14(3)16-9-6-13(2)17(19)10-16;2*1-12-5-4-6-15(9-12)11-20-18-14(3)16-8-7-13(2)17(19)10-16;1-11-7-8-13(9-16(11)19)12(2)18-20-10-14-5-3-4-6-15(14)17/h3*4-9,20H,10H2,1-3H3;3*4-10,19H,11H2,1-3H3;3-9,19H,10H2,1-2H3/b3*19-13+;3*18-14+;18-12+.

What are the key properties of 5-[(E)-N-[(2-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(3-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(3-fluoro-5-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(2-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;bis(2-methyl-5-[(E)-C-methyl-N-[(3-methylphenyl)methoxy]carbonimidoyl]phenol);2-methyl-5-[(E)-C-methyl-N-[(4-methylphenyl)methoxy]carbonimidoyl]phenol?

5-[(E)-N-[(2-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(3-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(3-fluoro-5-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(2-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;bis(2-methyl-5-[(E)-C-methyl-N-[(3-methylphenyl)methoxy]carbonimidoyl]phenol);2-methyl-5-[(E)-C-methyl-N-[(4-methylphenyl)methoxy]carbonimidoyl]phenol has a molecular weight of 1943.34 g/mol, XLogP of 27.90, 28 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(E)-N-[(2-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(3-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(3-fluoro-5-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;5-[(E)-N-[(2-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol;bis(2-methyl-5-[(E)-C-methyl-N-[(3-methylphenyl)methoxy]carbonimidoyl]phenol);2-methyl-5-[(E)-C-methyl-N-[(4-methylphenyl)methoxy]carbonimidoyl]phenol is sourced from PubChem (CID 172927950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).