2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide

C37H37BrCl2FN2OW- — CID 153288388

About 2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide

2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide (PubChem CID 153288388) has the molecular formula C37H37BrCl2FN2OW- and a molecular weight of 879.36 g/mol. Its IUPAC name is 2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide.

Molecular Properties

• Compound Name: 2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide
• PubChem CID: 153288388
• Molecular Formula: C37H37BrCl2FN2OW-
• Molecular Weight: 879.36 g/mol
• Exact Mass: 877.10
• IUPAC Name: 2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide
• SMILES: CC(C)(C=[W]=Nc1c(Cl)cccc1Cl)c1ccccc1.Cc1cc(C)c(-c2cc(F)cc(Br)c2O)c(C)c1.Cc1ccc(C)[n-]1
• InChI: InChI=1S/C15H14BrFO.C10H12.C6H3Cl2N.C6H8N.W/c1-8-4-9(2)14(10(3)5-8)12-6-11(17)7-13(16)15(12)18;1-10(2,3)9-7-5-4-6-8-9;7-4-2-1-3-5(8)6(4)9;1-5-3-4-6(2)7-5;/h4-7,18H,1-3H3;1,4-8H,2-3H3;1-3H;3-4H,1-2H3;/q;;;-1
• InChIKey: GUAYWMOFHUBRBP-UHFFFAOYSA-N
• XLogP: 11.82
• TPSA: 46.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	879.36
LogP ≤ 5	11.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide?

The IUPAC name of 2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide (CID 153288388) is 2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide.

What is the SMILES notation for 2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide?

The canonical SMILES for 2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide is CC(C)(C=[W]=Nc1c(Cl)cccc1Cl)c1ccccc1.Cc1cc(C)c(-c2cc(F)cc(Br)c2O)c(C)c1.Cc1ccc(C)[n-]1.

What is the InChIKey of 2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide?

The InChIKey is GUAYWMOFHUBRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO.C10H12.C6H3Cl2N.C6H8N.W/c1-8-4-9(2)14(10(3)5-8)12-6-11(17)7-13(16)15(12)18;1-10(2,3)9-7-5-4-6-8-9;7-4-2-1-3-5(8)6(4)9;1-5-3-4-6(2)7-5;/h4-7,18H,1-3H3;1,4-8H,2-3H3;1-3H;3-4H,1-2H3;/q;;;-1;.

What are the key properties of 2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide?

2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide has a molecular weight of 879.36 g/mol, XLogP of 11.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide is sourced from PubChem (CID 153288388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).