2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-(5-chlorobenzotriazol-2-yl)-4-(2,6-dimethylphenyl)sulfanyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-naphthalen-1-ylphenol;2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol

C89H85Cl3N12O4S — CID 158498505

About 2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-(5-chlorobenzotriazol-2-yl)-4-(2,6-dimethylphenyl)sulfanyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-naphthalen-1-ylphenol;2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol

2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-(5-chlorobenzotriazol-2-yl)-4-(2,6-dimethylphenyl)sulfanyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-naphthalen-1-ylphenol;2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol (PubChem CID 158498505) has the molecular formula C89H85Cl3N12O4S and a molecular weight of 1525.16 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-(5-chlorobenzotriazol-2-yl)-4-(2,6-dimethylphenyl)sulfanyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-naphthalen-1-ylphenol;2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol.

Molecular Properties

• Compound Name: 2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-(5-chlorobenzotriazol-2-yl)-4-(2,6-dimethylphenyl)sulfanyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-naphthalen-1-ylphenol;2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol
• PubChem CID: 158498505
• Molecular Formula: C89H85Cl3N12O4S
• Molecular Weight: 1525.16 g/mol
• Exact Mass: 1522.56
• IUPAC Name: 2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-(5-chlorobenzotriazol-2-yl)-4-(2,6-dimethylphenyl)sulfanyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-naphthalen-1-ylphenol;2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol
• SMILES: CC(C)(C)c1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1.Cc1cc(-c2cccc3ccccc23)c(O)c(-n2nc3ccc(Cl)cc3n2)c1.Cc1cccc(C)c1Sc1cc(-c2ccccc2)c(O)c(-n2nc3ccc(Cl)cc3n2)c1
• InChI: InChI=1S/C26H20ClN3OS.C23H16ClN3O.C20H24ClN3O.C20H25N3O/c1-16-7-6-8-17(2)26(16)32-20-14-21(18-9-4-3-5-10-18)25(31)24(15-20)30-28-22-12-11-19(27)13-23(22)29-30;1-14-11-19(18-8-4-6-15-5-2-3-7-17(15)18)23(28)22(12-14)27-25-20-10-9-16(24)13-21(20)26-27;1-19(2,3)12-9-14(20(4,5)6)18(25)17(10-12)24-22-15-8-7-13(21)11-16(15)23-24;1-19(2,3)13-11-14(20(4,5)6)18(24)17(12-13)23-21-15-9-7-8-10-16(15)22-23/h3-15,31H,1-2H3;2-13,28H,1H3;7-11,25H,1-6H3;7-12,24H,1-6H3
• InChIKey: HJOZWGITOAYVGQ-UHFFFAOYSA-N
• XLogP: 23.22
• TPSA: 203.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1525.16
LogP ≤ 5	23.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-(5-chlorobenzotriazol-2-yl)-4-(2,6-dimethylphenyl)sulfanyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-naphthalen-1-ylphenol;2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol?

The IUPAC name of 2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-(5-chlorobenzotriazol-2-yl)-4-(2,6-dimethylphenyl)sulfanyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-naphthalen-1-ylphenol;2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol (CID 158498505) is 2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-(5-chlorobenzotriazol-2-yl)-4-(2,6-dimethylphenyl)sulfanyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-naphthalen-1-ylphenol;2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol.

What is the SMILES notation for 2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-(5-chlorobenzotriazol-2-yl)-4-(2,6-dimethylphenyl)sulfanyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-naphthalen-1-ylphenol;2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol?

The canonical SMILES for 2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-(5-chlorobenzotriazol-2-yl)-4-(2,6-dimethylphenyl)sulfanyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-naphthalen-1-ylphenol;2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol is CC(C)(C)c1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1.Cc1cc(-c2cccc3ccccc23)c(O)c(-n2nc3ccc(Cl)cc3n2)c1.Cc1cccc(C)c1Sc1cc(-c2ccccc2)c(O)c(-n2nc3ccc(Cl)cc3n2)c1.

What is the InChIKey of 2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-(5-chlorobenzotriazol-2-yl)-4-(2,6-dimethylphenyl)sulfanyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-naphthalen-1-ylphenol;2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol?

The InChIKey is HJOZWGITOAYVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN3OS.C23H16ClN3O.C20H24ClN3O.C20H25N3O/c1-16-7-6-8-17(2)26(16)32-20-14-21(18-9-4-3-5-10-18)25(31)24(15-20)30-28-22-12-11-19(27)13-23(22)29-30;1-14-11-19(18-8-4-6-15-5-2-3-7-17(15)18)23(28)22(12-14)27-25-20-10-9-16(24)13-21(20)26-27;1-19(2,3)12-9-14(20(4,5)6)18(25)17(10-12)24-22-15-8-7-13(21)11-16(15)23-24;1-19(2,3)13-11-14(20(4,5)6)18(24)17(12-13)23-21-15-9-7-8-10-16(15)22-23/h3-15,31H,1-2H3;2-13,28H,1H3;7-11,25H,1-6H3;7-12,24H,1-6H3.

What are the key properties of 2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-(5-chlorobenzotriazol-2-yl)-4-(2,6-dimethylphenyl)sulfanyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-naphthalen-1-ylphenol;2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol?

2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-(5-chlorobenzotriazol-2-yl)-4-(2,6-dimethylphenyl)sulfanyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-naphthalen-1-ylphenol;2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol has a molecular weight of 1525.16 g/mol, XLogP of 23.22, 8 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-(5-chlorobenzotriazol-2-yl)-4-(2,6-dimethylphenyl)sulfanyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-naphthalen-1-ylphenol;2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol is sourced from PubChem (CID 158498505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).