4-bromo-2-tert-butyl-5-chlorophenol;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-iodophenol;2-tert-butyl-4-chloro-5-methylphenol;2-tert-butyl-5-chloro-4-methylphenol;2-tert-butyl-4-chlorophenol;3-tert-butyl-5-chlorophenol;2-tert-butyl-4,5-dichlorobenzamide;5-tert-butyl-2,4-dichlorobenzonitrile;1-tert-butyl-2,4-dichloro-5-methoxybenzene;2-tert-butyl-4,5-dichlorophenol;1-tert-butylnaphthalene

C174H207BrCl22FIN2O13 — CID 158371419

About 4-bromo-2-tert-butyl-5-chlorophenol;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-iodophenol;2-tert-butyl-4-chloro-5-methylphenol;2-tert-butyl-5-chloro-4-methylphenol;2-tert-butyl-4-chlorophenol;3-tert-butyl-5-chlorophenol;2-tert-butyl-4,5-dichlorobenzamide;5-tert-butyl-2,4-dichlorobenzonitrile;1-tert-butyl-2,4-dichloro-5-methoxybenzene;2-tert-butyl-4,5-dichlorophenol;1-tert-butylnaphthalene

4-bromo-2-tert-butyl-5-chlorophenol;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-iodophenol;2-tert-butyl-4-chloro-5-methylphenol;2-tert-butyl-5-chloro-4-methylphenol;2-tert-butyl-4-chlorophenol;3-tert-butyl-5-chlorophenol;2-tert-butyl-4,5-dichlorobenzamide;5-tert-butyl-2,4-dichlorobenzonitrile;1-tert-butyl-2,4-dichloro-5-methoxybenzene;2-tert-butyl-4,5-dichlorophenol;1-tert-butylnaphthalene (PubChem CID 158371419) has the molecular formula C174H207BrCl22FIN2O13 and a molecular weight of 3540.34 g/mol. Its IUPAC name is 4-bromo-2-tert-butyl-5-chlorophenol;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-iodophenol;2-tert-butyl-4-chloro-5-methylphenol;2-tert-butyl-5-chloro-4-methylphenol;2-tert-butyl-4-chlorophenol;3-tert-butyl-5-chlorophenol;2-tert-butyl-4,5-dichlorobenzamide;5-tert-butyl-2,4-dichlorobenzonitrile;1-tert-butyl-2,4-dichloro-5-methoxybenzene;2-tert-butyl-4,5-dichlorophenol;1-tert-butylnaphthalene.

Molecular Properties

• Compound Name: 4-bromo-2-tert-butyl-5-chlorophenol;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-iodophenol;2-tert-butyl-4-chloro-5-methylphenol;2-tert-butyl-5-chloro-4-methylphenol;2-tert-butyl-4-chlorophenol;3-tert-butyl-5-chlorophenol;2-tert-butyl-4,5-dichlorobenzamide;5-tert-butyl-2,4-dichlorobenzonitrile;1-tert-butyl-2,4-dichloro-5-methoxybenzene;2-tert-butyl-4,5-dichlorophenol;1-tert-butylnaphthalene
• PubChem CID: 158371419
• Molecular Formula: C174H207BrCl22FIN2O13
• Molecular Weight: 3540.34 g/mol
• Exact Mass: 3526.70
• IUPAC Name: 4-bromo-2-tert-butyl-5-chlorophenol;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-iodophenol;2-tert-butyl-4-chloro-5-methylphenol;2-tert-butyl-5-chloro-4-methylphenol;2-tert-butyl-4-chlorophenol;3-tert-butyl-5-chlorophenol;2-tert-butyl-4,5-dichlorobenzamide;5-tert-butyl-2,4-dichlorobenzonitrile;1-tert-butyl-2,4-dichloro-5-methoxybenzene;2-tert-butyl-4,5-dichlorophenol;1-tert-butylnaphthalene
• SMILES: CC(C)(C)c1cc(-c2cc(Cl)ccc2Cl)c(Cl)cc1O.CC(C)(C)c1cc(Br)c(Cl)cc1O.CC(C)(C)c1cc(C#N)c(Cl)cc1Cl.CC(C)(C)c1cc(Cl)c(Cl)cc1C(N)=O.CC(C)(C)c1cc(Cl)c(Cl)cc1O.CC(C)(C)c1cc(Cl)c(F)cc1O.CC(C)(C)c1cc(Cl)ccc1O.CC(C)(C)c1cc(I)c(Cl)cc1O.CC(C)(C)c1cc(O)cc(Cl)c1.CC(C)(C)c1cccc2ccccc12.CCc1cc(C(C)(C)C)c(O)cc1Cl.COc1cc(C(C)(C)C)c(Cl)cc1Cl.COc1cc(Cl)c(-c2cc(Cl)ccc2Cl)cc1C(C)(C)C.Cc1cc(C(C)(C)C)c(O)cc1Cl.Cc1cc(O)c(C(C)(C)C)cc1Cl
• InChI: InChI=1S/C17H17Cl3O.C16H15Cl3O.C14H16.C12H17ClO.C11H13Cl2NO.C11H11Cl2N.C11H14Cl2O.2C11H15ClO.C10H12BrClO.C10H12Cl2O.C10H12ClFO.C10H12ClIO.2C10H13ClO/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;1-5-8-6-9(12(2,3)4)11(14)7-10(8)13;1-11(2,3)7-5-9(13)8(12)4-6(7)10(14)15;1-11(2,3)8-4-7(6-14)9(12)5-10(8)13;1-11(2,3)7-5-10(14-4)9(13)6-8(7)12;1-7-5-10(13)8(6-9(7)12)11(2,3)4;1-7-5-8(11(2,3)4)10(13)6-9(7)12;3*1-10(2,3)6-4-7(11)8(12)5-9(6)13;1-10(2,3)6-4-8(12)7(11)5-9(6)13;1-10(2,3)7-4-8(11)6-9(12)5-7;1-10(2,3)8-6-7(11)4-5-9(8)12/h5-9H,1-4H3;4-8,20H,1-3H3;4-10H,1-3H3;6-7,14H,5H2,1-4H3;4-5H,1-3H3,(H2,14,15);4-5H,1-3H3;5-6H,1-4H3;2*5-6,13H,1-4H3;4*4-5,13H,1-3H3;2*4-6,12H,1-3H3
• InChIKey: GUQSGJSSERGQFB-UHFFFAOYSA-N
• XLogP: 62.35
• TPSA: 287.64 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3540.34
LogP ≤ 5	62.35
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-tert-butyl-5-chlorophenol;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-iodophenol;2-tert-butyl-4-chloro-5-methylphenol;2-tert-butyl-5-chloro-4-methylphenol;2-tert-butyl-4-chlorophenol;3-tert-butyl-5-chlorophenol;2-tert-butyl-4,5-dichlorobenzamide;5-tert-butyl-2,4-dichlorobenzonitrile;1-tert-butyl-2,4-dichloro-5-methoxybenzene;2-tert-butyl-4,5-dichlorophenol;1-tert-butylnaphthalene?

The IUPAC name of 4-bromo-2-tert-butyl-5-chlorophenol;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-iodophenol;2-tert-butyl-4-chloro-5-methylphenol;2-tert-butyl-5-chloro-4-methylphenol;2-tert-butyl-4-chlorophenol;3-tert-butyl-5-chlorophenol;2-tert-butyl-4,5-dichlorobenzamide;5-tert-butyl-2,4-dichlorobenzonitrile;1-tert-butyl-2,4-dichloro-5-methoxybenzene;2-tert-butyl-4,5-dichlorophenol;1-tert-butylnaphthalene (CID 158371419) is 4-bromo-2-tert-butyl-5-chlorophenol;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-iodophenol;2-tert-butyl-4-chloro-5-methylphenol;2-tert-butyl-5-chloro-4-methylphenol;2-tert-butyl-4-chlorophenol;3-tert-butyl-5-chlorophenol;2-tert-butyl-4,5-dichlorobenzamide;5-tert-butyl-2,4-dichlorobenzonitrile;1-tert-butyl-2,4-dichloro-5-methoxybenzene;2-tert-butyl-4,5-dichlorophenol;1-tert-butylnaphthalene.

What is the SMILES notation for 4-bromo-2-tert-butyl-5-chlorophenol;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-iodophenol;2-tert-butyl-4-chloro-5-methylphenol;2-tert-butyl-5-chloro-4-methylphenol;2-tert-butyl-4-chlorophenol;3-tert-butyl-5-chlorophenol;2-tert-butyl-4,5-dichlorobenzamide;5-tert-butyl-2,4-dichlorobenzonitrile;1-tert-butyl-2,4-dichloro-5-methoxybenzene;2-tert-butyl-4,5-dichlorophenol;1-tert-butylnaphthalene?

The canonical SMILES for 4-bromo-2-tert-butyl-5-chlorophenol;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-iodophenol;2-tert-butyl-4-chloro-5-methylphenol;2-tert-butyl-5-chloro-4-methylphenol;2-tert-butyl-4-chlorophenol;3-tert-butyl-5-chlorophenol;2-tert-butyl-4,5-dichlorobenzamide;5-tert-butyl-2,4-dichlorobenzonitrile;1-tert-butyl-2,4-dichloro-5-methoxybenzene;2-tert-butyl-4,5-dichlorophenol;1-tert-butylnaphthalene is CC(C)(C)c1cc(-c2cc(Cl)ccc2Cl)c(Cl)cc1O.CC(C)(C)c1cc(Br)c(Cl)cc1O.CC(C)(C)c1cc(C#N)c(Cl)cc1Cl.CC(C)(C)c1cc(Cl)c(Cl)cc1C(N)=O.CC(C)(C)c1cc(Cl)c(Cl)cc1O.CC(C)(C)c1cc(Cl)c(F)cc1O.CC(C)(C)c1cc(Cl)ccc1O.CC(C)(C)c1cc(I)c(Cl)cc1O.CC(C)(C)c1cc(O)cc(Cl)c1.CC(C)(C)c1cccc2ccccc12.CCc1cc(C(C)(C)C)c(O)cc1Cl.COc1cc(C(C)(C)C)c(Cl)cc1Cl.COc1cc(Cl)c(-c2cc(Cl)ccc2Cl)cc1C(C)(C)C.Cc1cc(C(C)(C)C)c(O)cc1Cl.Cc1cc(O)c(C(C)(C)C)cc1Cl.

What is the InChIKey of 4-bromo-2-tert-butyl-5-chlorophenol;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-iodophenol;2-tert-butyl-4-chloro-5-methylphenol;2-tert-butyl-5-chloro-4-methylphenol;2-tert-butyl-4-chlorophenol;3-tert-butyl-5-chlorophenol;2-tert-butyl-4,5-dichlorobenzamide;5-tert-butyl-2,4-dichlorobenzonitrile;1-tert-butyl-2,4-dichloro-5-methoxybenzene;2-tert-butyl-4,5-dichlorophenol;1-tert-butylnaphthalene?

The InChIKey is GUQSGJSSERGQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl3O.C16H15Cl3O.C14H16.C12H17ClO.C11H13Cl2NO.C11H11Cl2N.C11H14Cl2O.2C11H15ClO.C10H12BrClO.C10H12Cl2O.C10H12ClFO.C10H12ClIO.2C10H13ClO/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;1-5-8-6-9(12(2,3)4)11(14)7-10(8)13;1-11(2,3)7-5-9(13)8(12)4-6(7)10(14)15;1-11(2,3)8-4-7(6-14)9(12)5-10(8)13;1-11(2,3)7-5-10(14-4)9(13)6-8(7)12;1-7-5-10(13)8(6-9(7)12)11(2,3)4;1-7-5-8(11(2,3)4)10(13)6-9(7)12;3*1-10(2,3)6-4-7(11)8(12)5-9(6)13;1-10(2,3)6-4-8(12)7(11)5-9(6)13;1-10(2,3)7-4-8(11)6-9(12)5-7;1-10(2,3)8-6-7(11)4-5-9(8)12/h5-9H,1-4H3;4-8,20H,1-3H3;4-10H,1-3H3;6-7,14H,5H2,1-4H3;4-5H,1-3H3,(H2,14,15);4-5H,1-3H3;5-6H,1-4H3;2*5-6,13H,1-4H3;4*4-5,13H,1-3H3;2*4-6,12H,1-3H3.

What are the key properties of 4-bromo-2-tert-butyl-5-chlorophenol;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-iodophenol;2-tert-butyl-4-chloro-5-methylphenol;2-tert-butyl-5-chloro-4-methylphenol;2-tert-butyl-4-chlorophenol;3-tert-butyl-5-chlorophenol;2-tert-butyl-4,5-dichlorobenzamide;5-tert-butyl-2,4-dichlorobenzonitrile;1-tert-butyl-2,4-dichloro-5-methoxybenzene;2-tert-butyl-4,5-dichlorophenol;1-tert-butylnaphthalene?

4-bromo-2-tert-butyl-5-chlorophenol;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-iodophenol;2-tert-butyl-4-chloro-5-methylphenol;2-tert-butyl-5-chloro-4-methylphenol;2-tert-butyl-4-chlorophenol;3-tert-butyl-5-chlorophenol;2-tert-butyl-4,5-dichlorobenzamide;5-tert-butyl-2,4-dichlorobenzonitrile;1-tert-butyl-2,4-dichloro-5-methoxybenzene;2-tert-butyl-4,5-dichlorophenol;1-tert-butylnaphthalene has a molecular weight of 3540.34 g/mol, XLogP of 62.35, 6 rotatable bonds, 11 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2-tert-butyl-5-chlorophenol;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-iodophenol;2-tert-butyl-4-chloro-5-methylphenol;2-tert-butyl-5-chloro-4-methylphenol;2-tert-butyl-4-chlorophenol;3-tert-butyl-5-chlorophenol;2-tert-butyl-4,5-dichlorobenzamide;5-tert-butyl-2,4-dichlorobenzonitrile;1-tert-butyl-2,4-dichloro-5-methoxybenzene;2-tert-butyl-4,5-dichlorophenol;1-tert-butylnaphthalene is sourced from PubChem (CID 158371419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).