2-tert-butyl-4-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;hexakis(dichlorozirconium);2,4-dimethyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-methyl-2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol

C98H100Cl12F18O6P6Zr6 — CID 159462518

About 2-tert-butyl-4-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;hexakis(dichlorozirconium);2,4-dimethyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-methyl-2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol

2-tert-butyl-4-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;hexakis(dichlorozirconium);2,4-dimethyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-methyl-2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol (PubChem CID 159462518) has the molecular formula C98H100Cl12F18O6P6Zr6 and a molecular weight of 2874.46 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;hexakis(dichlorozirconium);2,4-dimethyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-methyl-2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol.

Molecular Properties

• Compound Name: 2-tert-butyl-4-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;hexakis(dichlorozirconium);2,4-dimethyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-methyl-2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol
• PubChem CID: 159462518
• Molecular Formula: C98H100Cl12F18O6P6Zr6
• Molecular Weight: 2874.46 g/mol
• Exact Mass: 2859.62
• IUPAC Name: 2-tert-butyl-4-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;hexakis(dichlorozirconium);2,4-dimethyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-methyl-2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol
• SMILES: Cc1cc(C)c(O)c(Pc2ccc(C)cc2C(F)(F)F)c1.Cc1cc(Pc2ccc(C)cc2C(F)(F)F)c(O)c(C(C)(C)C)c1.Cc1ccc(O)c(Pc2ccc(C)cc2C(F)(F)F)c1.Cc1ccc(Pc2cc(C(C)(C)C)cc(C)c2O)c(C(F)(F)F)c1.Cc1ccc(Pc2cccc(C)c2O)c(C(F)(F)F)c1.Cc1ccc(Pc2ccccc2O)c(C(F)(F)F)c1.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl
• InChI: InChI=1S/2C19H22F3OP.C16H16F3OP.2C15H14F3OP.C14H12F3OP.12ClH.6Zr/c1-11-6-7-15(14(8-11)19(20,21)22)24-16-10-13(18(3,4)5)9-12(2)17(16)23;1-11-6-7-15(13(8-11)19(20,21)22)24-16-10-12(2)9-14(17(16)23)18(3,4)5;1-9-4-5-13(12(7-9)16(17,18)19)21-14-8-10(2)6-11(3)15(14)20;1-9-4-6-13(11(7-9)15(16,17)18)20-14-8-10(2)3-5-12(14)19;1-9-6-7-12(11(8-9)15(16,17)18)20-13-5-3-4-10(2)14(13)19;1-9-6-7-12(10(8-9)14(15,16)17)19-13-5-3-2-4-11(13)18;;;;;;;;;;;;;;;;;;/h2*6-10,23-24H,1-5H3;4-8,20-21H,1-3H3;2*3-8,19-20H,1-2H3;2-8,18-19H,1H3;12*1H;;;;;;/q;;;;;;;;;;;;;;;;;;6*+2/p-12
• InChIKey: WHUCMUNFINVXHN-UHFFFAOYSA-B
• XLogP: 32.80
• TPSA: 121.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2874.46
LogP ≤ 5	32.80
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;hexakis(dichlorozirconium);2,4-dimethyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-methyl-2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol?

The IUPAC name of 2-tert-butyl-4-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;hexakis(dichlorozirconium);2,4-dimethyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-methyl-2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol (CID 159462518) is 2-tert-butyl-4-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;hexakis(dichlorozirconium);2,4-dimethyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-methyl-2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol.

What is the SMILES notation for 2-tert-butyl-4-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;hexakis(dichlorozirconium);2,4-dimethyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-methyl-2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol?

The canonical SMILES for 2-tert-butyl-4-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;hexakis(dichlorozirconium);2,4-dimethyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-methyl-2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol is Cc1cc(C)c(O)c(Pc2ccc(C)cc2C(F)(F)F)c1.Cc1cc(Pc2ccc(C)cc2C(F)(F)F)c(O)c(C(C)(C)C)c1.Cc1ccc(O)c(Pc2ccc(C)cc2C(F)(F)F)c1.Cc1ccc(Pc2cc(C(C)(C)C)cc(C)c2O)c(C(F)(F)F)c1.Cc1ccc(Pc2cccc(C)c2O)c(C(F)(F)F)c1.Cc1ccc(Pc2ccccc2O)c(C(F)(F)F)c1.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.

What is the InChIKey of 2-tert-butyl-4-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;hexakis(dichlorozirconium);2,4-dimethyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-methyl-2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol?

The InChIKey is WHUCMUNFINVXHN-UHFFFAOYSA-B. The full InChI is InChI=1S/2C19H22F3OP.C16H16F3OP.2C15H14F3OP.C14H12F3OP.12ClH.6Zr/c1-11-6-7-15(14(8-11)19(20,21)22)24-16-10-13(18(3,4)5)9-12(2)17(16)23;1-11-6-7-15(13(8-11)19(20,21)22)24-16-10-12(2)9-14(17(16)23)18(3,4)5;1-9-4-5-13(12(7-9)16(17,18)19)21-14-8-10(2)6-11(3)15(14)20;1-9-4-6-13(11(7-9)15(16,17)18)20-14-8-10(2)3-5-12(14)19;1-9-6-7-12(11(8-9)15(16,17)18)20-13-5-3-4-10(2)14(13)19;1-9-6-7-12(10(8-9)14(15,16)17)19-13-5-3-2-4-11(13)18;;;;;;;;;;;;;;;;;;/h2*6-10,23-24H,1-5H3;4-8,20-21H,1-3H3;2*3-8,19-20H,1-2H3;2-8,18-19H,1H3;12*1H;;;;;;/q;;;;;;;;;;;;;;;;;;6*+2/p-12.

What are the key properties of 2-tert-butyl-4-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;hexakis(dichlorozirconium);2,4-dimethyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-methyl-2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol?

2-tert-butyl-4-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;hexakis(dichlorozirconium);2,4-dimethyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-methyl-2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol has a molecular weight of 2874.46 g/mol, XLogP of 32.80, 12 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-4-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;hexakis(dichlorozirconium);2,4-dimethyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-methyl-2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol is sourced from PubChem (CID 159462518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).