1-tert-butyl-4-chloro-5-(2,5-dichlorophenyl)-2-methoxybenzene;2-tert-butyl-5-chloro-4-(2,5-dichlorophenyl)phenol;2-tert-butyl-5-chloro-4-ethylphenol;2-tert-butyl-4-chloro-5-fluorophenol;2-tert-butyl-5-chloro-4-methoxyphenol;2-tert-butyl-5-chloro-4-methylbenzamide;tris(2-tert-butyl-5-chloro-4-methylphenol);1-tert-butyl-2,4-dichloro-5-methylbenzene;2-tert-butyl-4,5-dimethylphenol;1-tert-butylnaphthalene

C148H185Cl15FNO11 — CID 158421558

About 1-tert-butyl-4-chloro-5-(2,5-dichlorophenyl)-2-methoxybenzene;2-tert-butyl-5-chloro-4-(2,5-dichlorophenyl)phenol;2-tert-butyl-5-chloro-4-ethylphenol;2-tert-butyl-4-chloro-5-fluorophenol;2-tert-butyl-5-chloro-4-methoxyphenol;2-tert-butyl-5-chloro-4-methylbenzamide;tris(2-tert-butyl-5-chloro-4-methylphenol);1-tert-butyl-2,4-dichloro-5-methylbenzene;2-tert-butyl-4,5-dimethylphenol;1-tert-butylnaphthalene

1-tert-butyl-4-chloro-5-(2,5-dichlorophenyl)-2-methoxybenzene;2-tert-butyl-5-chloro-4-(2,5-dichlorophenyl)phenol;2-tert-butyl-5-chloro-4-ethylphenol;2-tert-butyl-4-chloro-5-fluorophenol;2-tert-butyl-5-chloro-4-methoxyphenol;2-tert-butyl-5-chloro-4-methylbenzamide;tris(2-tert-butyl-5-chloro-4-methylphenol);1-tert-butyl-2,4-dichloro-5-methylbenzene;2-tert-butyl-4,5-dimethylphenol;1-tert-butylnaphthalene (PubChem CID 158421558) has the molecular formula C148H185Cl15FNO11 and a molecular weight of 2704.90 g/mol. Its IUPAC name is 1-tert-butyl-4-chloro-5-(2,5-dichlorophenyl)-2-methoxybenzene;2-tert-butyl-5-chloro-4-(2,5-dichlorophenyl)phenol;2-tert-butyl-5-chloro-4-ethylphenol;2-tert-butyl-4-chloro-5-fluorophenol;2-tert-butyl-5-chloro-4-methoxyphenol;2-tert-butyl-5-chloro-4-methylbenzamide;tris(2-tert-butyl-5-chloro-4-methylphenol);1-tert-butyl-2,4-dichloro-5-methylbenzene;2-tert-butyl-4,5-dimethylphenol;1-tert-butylnaphthalene.

Molecular Properties

• Compound Name: 1-tert-butyl-4-chloro-5-(2,5-dichlorophenyl)-2-methoxybenzene;2-tert-butyl-5-chloro-4-(2,5-dichlorophenyl)phenol;2-tert-butyl-5-chloro-4-ethylphenol;2-tert-butyl-4-chloro-5-fluorophenol;2-tert-butyl-5-chloro-4-methoxyphenol;2-tert-butyl-5-chloro-4-methylbenzamide;tris(2-tert-butyl-5-chloro-4-methylphenol);1-tert-butyl-2,4-dichloro-5-methylbenzene;2-tert-butyl-4,5-dimethylphenol;1-tert-butylnaphthalene
• PubChem CID: 158421558
• Molecular Formula: C148H185Cl15FNO11
• Molecular Weight: 2704.90 g/mol
• Exact Mass: 2695.93
• IUPAC Name: 1-tert-butyl-4-chloro-5-(2,5-dichlorophenyl)-2-methoxybenzene;2-tert-butyl-5-chloro-4-(2,5-dichlorophenyl)phenol;2-tert-butyl-5-chloro-4-ethylphenol;2-tert-butyl-4-chloro-5-fluorophenol;2-tert-butyl-5-chloro-4-methoxyphenol;2-tert-butyl-5-chloro-4-methylbenzamide;tris(2-tert-butyl-5-chloro-4-methylphenol);1-tert-butyl-2,4-dichloro-5-methylbenzene;2-tert-butyl-4,5-dimethylphenol;1-tert-butylnaphthalene
• SMILES: CC(C)(C)c1cc(-c2cc(Cl)ccc2Cl)c(Cl)cc1O.CC(C)(C)c1cc(Cl)c(F)cc1O.CC(C)(C)c1cccc2ccccc12.CCc1cc(C(C)(C)C)c(O)cc1Cl.COc1cc(C(C)(C)C)c(O)cc1Cl.COc1cc(Cl)c(-c2cc(Cl)ccc2Cl)cc1C(C)(C)C.Cc1cc(C(C)(C)C)c(C(N)=O)cc1Cl.Cc1cc(C(C)(C)C)c(Cl)cc1Cl.Cc1cc(C(C)(C)C)c(O)cc1Cl.Cc1cc(C(C)(C)C)c(O)cc1Cl.Cc1cc(C(C)(C)C)c(O)cc1Cl.Cc1cc(O)c(C(C)(C)C)cc1C
• InChI: InChI=1S/C17H17Cl3O.C16H15Cl3O.C14H16.C12H16ClNO.C12H17ClO.C12H18O.C11H14Cl2.C11H15ClO2.3C11H15ClO.C10H12ClFO/c1-17(2,3)13-8-12(15(20)9-16(13)21-4)11-7-10(18)5-6-14(11)19;1-16(2,3)12-7-11(14(19)8-15(12)20)10-6-9(17)4-5-13(10)18;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-7-5-9(12(2,3)4)8(11(14)15)6-10(7)13;1-5-8-6-9(12(2,3)4)11(14)7-10(8)13;1-8-6-10(12(3,4)5)11(13)7-9(8)2;1-7-5-8(11(2,3)4)10(13)6-9(7)12;1-11(2,3)7-5-10(14-4)8(12)6-9(7)13;3*1-7-5-8(11(2,3)4)10(13)6-9(7)12;1-10(2,3)6-4-7(11)8(12)5-9(6)13/h5-9H,1-4H3;4-8,20H,1-3H3;4-10H,1-3H3;5-6H,1-4H3,(H2,14,15);6-7,14H,5H2,1-4H3;6-7,13H,1-5H3;5-6H,1-4H3;5-6,13H,1-4H3;3*5-6,13H,1-4H3;4-5,13H,1-3H3
• InChIKey: HANYXJHRPDEKIH-UHFFFAOYSA-N
• XLogP: 49.72
• TPSA: 223.39 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2704.90
LogP ≤ 5	49.72
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-chloro-5-(2,5-dichlorophenyl)-2-methoxybenzene;2-tert-butyl-5-chloro-4-(2,5-dichlorophenyl)phenol;2-tert-butyl-5-chloro-4-ethylphenol;2-tert-butyl-4-chloro-5-fluorophenol;2-tert-butyl-5-chloro-4-methoxyphenol;2-tert-butyl-5-chloro-4-methylbenzamide;tris(2-tert-butyl-5-chloro-4-methylphenol);1-tert-butyl-2,4-dichloro-5-methylbenzene;2-tert-butyl-4,5-dimethylphenol;1-tert-butylnaphthalene?

The IUPAC name of 1-tert-butyl-4-chloro-5-(2,5-dichlorophenyl)-2-methoxybenzene;2-tert-butyl-5-chloro-4-(2,5-dichlorophenyl)phenol;2-tert-butyl-5-chloro-4-ethylphenol;2-tert-butyl-4-chloro-5-fluorophenol;2-tert-butyl-5-chloro-4-methoxyphenol;2-tert-butyl-5-chloro-4-methylbenzamide;tris(2-tert-butyl-5-chloro-4-methylphenol);1-tert-butyl-2,4-dichloro-5-methylbenzene;2-tert-butyl-4,5-dimethylphenol;1-tert-butylnaphthalene (CID 158421558) is 1-tert-butyl-4-chloro-5-(2,5-dichlorophenyl)-2-methoxybenzene;2-tert-butyl-5-chloro-4-(2,5-dichlorophenyl)phenol;2-tert-butyl-5-chloro-4-ethylphenol;2-tert-butyl-4-chloro-5-fluorophenol;2-tert-butyl-5-chloro-4-methoxyphenol;2-tert-butyl-5-chloro-4-methylbenzamide;tris(2-tert-butyl-5-chloro-4-methylphenol);1-tert-butyl-2,4-dichloro-5-methylbenzene;2-tert-butyl-4,5-dimethylphenol;1-tert-butylnaphthalene.

What is the SMILES notation for 1-tert-butyl-4-chloro-5-(2,5-dichlorophenyl)-2-methoxybenzene;2-tert-butyl-5-chloro-4-(2,5-dichlorophenyl)phenol;2-tert-butyl-5-chloro-4-ethylphenol;2-tert-butyl-4-chloro-5-fluorophenol;2-tert-butyl-5-chloro-4-methoxyphenol;2-tert-butyl-5-chloro-4-methylbenzamide;tris(2-tert-butyl-5-chloro-4-methylphenol);1-tert-butyl-2,4-dichloro-5-methylbenzene;2-tert-butyl-4,5-dimethylphenol;1-tert-butylnaphthalene?

The canonical SMILES for 1-tert-butyl-4-chloro-5-(2,5-dichlorophenyl)-2-methoxybenzene;2-tert-butyl-5-chloro-4-(2,5-dichlorophenyl)phenol;2-tert-butyl-5-chloro-4-ethylphenol;2-tert-butyl-4-chloro-5-fluorophenol;2-tert-butyl-5-chloro-4-methoxyphenol;2-tert-butyl-5-chloro-4-methylbenzamide;tris(2-tert-butyl-5-chloro-4-methylphenol);1-tert-butyl-2,4-dichloro-5-methylbenzene;2-tert-butyl-4,5-dimethylphenol;1-tert-butylnaphthalene is CC(C)(C)c1cc(-c2cc(Cl)ccc2Cl)c(Cl)cc1O.CC(C)(C)c1cc(Cl)c(F)cc1O.CC(C)(C)c1cccc2ccccc12.CCc1cc(C(C)(C)C)c(O)cc1Cl.COc1cc(C(C)(C)C)c(O)cc1Cl.COc1cc(Cl)c(-c2cc(Cl)ccc2Cl)cc1C(C)(C)C.Cc1cc(C(C)(C)C)c(C(N)=O)cc1Cl.Cc1cc(C(C)(C)C)c(Cl)cc1Cl.Cc1cc(C(C)(C)C)c(O)cc1Cl.Cc1cc(C(C)(C)C)c(O)cc1Cl.Cc1cc(C(C)(C)C)c(O)cc1Cl.Cc1cc(O)c(C(C)(C)C)cc1C.

What is the InChIKey of 1-tert-butyl-4-chloro-5-(2,5-dichlorophenyl)-2-methoxybenzene;2-tert-butyl-5-chloro-4-(2,5-dichlorophenyl)phenol;2-tert-butyl-5-chloro-4-ethylphenol;2-tert-butyl-4-chloro-5-fluorophenol;2-tert-butyl-5-chloro-4-methoxyphenol;2-tert-butyl-5-chloro-4-methylbenzamide;tris(2-tert-butyl-5-chloro-4-methylphenol);1-tert-butyl-2,4-dichloro-5-methylbenzene;2-tert-butyl-4,5-dimethylphenol;1-tert-butylnaphthalene?

The InChIKey is HANYXJHRPDEKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl3O.C16H15Cl3O.C14H16.C12H16ClNO.C12H17ClO.C12H18O.C11H14Cl2.C11H15ClO2.3C11H15ClO.C10H12ClFO/c1-17(2,3)13-8-12(15(20)9-16(13)21-4)11-7-10(18)5-6-14(11)19;1-16(2,3)12-7-11(14(19)8-15(12)20)10-6-9(17)4-5-13(10)18;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-7-5-9(12(2,3)4)8(11(14)15)6-10(7)13;1-5-8-6-9(12(2,3)4)11(14)7-10(8)13;1-8-6-10(12(3,4)5)11(13)7-9(8)2;1-7-5-8(11(2,3)4)10(13)6-9(7)12;1-11(2,3)7-5-10(14-4)8(12)6-9(7)13;3*1-7-5-8(11(2,3)4)10(13)6-9(7)12;1-10(2,3)6-4-7(11)8(12)5-9(6)13/h5-9H,1-4H3;4-8,20H,1-3H3;4-10H,1-3H3;5-6H,1-4H3,(H2,14,15);6-7,14H,5H2,1-4H3;6-7,13H,1-5H3;5-6H,1-4H3;5-6,13H,1-4H3;3*5-6,13H,1-4H3;4-5,13H,1-3H3.

What are the key properties of 1-tert-butyl-4-chloro-5-(2,5-dichlorophenyl)-2-methoxybenzene;2-tert-butyl-5-chloro-4-(2,5-dichlorophenyl)phenol;2-tert-butyl-5-chloro-4-ethylphenol;2-tert-butyl-4-chloro-5-fluorophenol;2-tert-butyl-5-chloro-4-methoxyphenol;2-tert-butyl-5-chloro-4-methylbenzamide;tris(2-tert-butyl-5-chloro-4-methylphenol);1-tert-butyl-2,4-dichloro-5-methylbenzene;2-tert-butyl-4,5-dimethylphenol;1-tert-butylnaphthalene?

1-tert-butyl-4-chloro-5-(2,5-dichlorophenyl)-2-methoxybenzene;2-tert-butyl-5-chloro-4-(2,5-dichlorophenyl)phenol;2-tert-butyl-5-chloro-4-ethylphenol;2-tert-butyl-4-chloro-5-fluorophenol;2-tert-butyl-5-chloro-4-methoxyphenol;2-tert-butyl-5-chloro-4-methylbenzamide;tris(2-tert-butyl-5-chloro-4-methylphenol);1-tert-butyl-2,4-dichloro-5-methylbenzene;2-tert-butyl-4,5-dimethylphenol;1-tert-butylnaphthalene has a molecular weight of 2704.90 g/mol, XLogP of 49.72, 6 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-chloro-5-(2,5-dichlorophenyl)-2-methoxybenzene;2-tert-butyl-5-chloro-4-(2,5-dichlorophenyl)phenol;2-tert-butyl-5-chloro-4-ethylphenol;2-tert-butyl-4-chloro-5-fluorophenol;2-tert-butyl-5-chloro-4-methoxyphenol;2-tert-butyl-5-chloro-4-methylbenzamide;tris(2-tert-butyl-5-chloro-4-methylphenol);1-tert-butyl-2,4-dichloro-5-methylbenzene;2-tert-butyl-4,5-dimethylphenol;1-tert-butylnaphthalene is sourced from PubChem (CID 158421558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).