1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chlorophenol;bis(4-tert-butyl-1,2-dichlorobenzene);4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-2,6-difluorophenol;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluorophenol;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butylphenol;4-tert-butylphenol;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;4-tert-butyl-2-(trifluoromethyl)phenol

C187H243Cl7F16O10 — CID 158037140

About 1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chlorophenol;bis(4-tert-butyl-1,2-dichlorobenzene);4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-2,6-difluorophenol;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluorophenol;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butylphenol;4-tert-butylphenol;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;4-tert-butyl-2-(trifluoromethyl)phenol

1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chlorophenol;bis(4-tert-butyl-1,2-dichlorobenzene);4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-2,6-difluorophenol;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluorophenol;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butylphenol;4-tert-butylphenol;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;4-tert-butyl-2-(trifluoromethyl)phenol (PubChem CID 158037140) has the molecular formula C187H243Cl7F16O10 and a molecular weight of 3203.13 g/mol. Its IUPAC name is 1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chlorophenol;bis(4-tert-butyl-1,2-dichlorobenzene);4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-2,6-difluorophenol;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluorophenol;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butylphenol;4-tert-butylphenol;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;4-tert-butyl-2-(trifluoromethyl)phenol.

Molecular Properties

• Compound Name: 1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chlorophenol;bis(4-tert-butyl-1,2-dichlorobenzene);4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-2,6-difluorophenol;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluorophenol;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butylphenol;4-tert-butylphenol;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;4-tert-butyl-2-(trifluoromethyl)phenol
• PubChem CID: 158037140
• Molecular Formula: C187H243Cl7F16O10
• Molecular Weight: 3203.13 g/mol
• Exact Mass: 3197.61
• IUPAC Name: 1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chlorophenol;bis(4-tert-butyl-1,2-dichlorobenzene);4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-2,6-difluorophenol;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluorophenol;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butylphenol;4-tert-butylphenol;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;4-tert-butyl-2-(trifluoromethyl)phenol
• SMILES: CC(C)(C)c1cc(F)c(O)c(F)c1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(Cl)c(Cl)c1.CC(C)(C)c1ccc(Cl)c(Cl)c1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(O)c(C(F)(F)F)c1.CC(C)(C)c1ccc(O)c(Cl)c1.CC(C)(C)c1ccc(O)c(F)c1.CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1cccc(O)c1.COc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1OC.COc1cccc(C(C)(C)C)c1
• InChI: InChI=1S/C12H18O2.C11H13F3O.2C11H13F3.2C11H16O.2C10H12Cl2.C10H13ClO.2C10H13Cl.C10H12F2O.C10H12F2.C10H13FO.2C10H13F.2C10H14O/c1-12(2,3)9-6-7-10(13-4)11(8-9)14-5;1-10(2,3)7-4-5-9(15)8(6-7)11(12,13)14;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-11(2,3)9-5-7-10(12-4)8-6-9;1-11(2,3)9-6-5-7-10(8-9)12-4;2*1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)7-4-5-9(12)8(11)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)6-4-7(11)9(13)8(12)5-6;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)7-4-5-9(12)8(11)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8/h6-8H,1-5H3;4-6,15H,1-3H3;2*4-7H,1-3H3;2*5-8H,1-4H3;2*4-6H,1-3H3;4-6,12H,1-3H3;2*4-7H,1-3H3;4-5,13H,1-3H3;4-6H,1-3H3;4-6,12H,1-3H3;2*4-7H,1-3H3;2*4-7,11H,1-3H3
• InChIKey: FHWUSCNAOWCVMS-UHFFFAOYSA-N
• XLogP: 60.59
• TPSA: 158.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3203.13
LogP ≤ 5	60.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chlorophenol;bis(4-tert-butyl-1,2-dichlorobenzene);4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-2,6-difluorophenol;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluorophenol;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butylphenol;4-tert-butylphenol;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;4-tert-butyl-2-(trifluoromethyl)phenol?

The IUPAC name of 1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chlorophenol;bis(4-tert-butyl-1,2-dichlorobenzene);4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-2,6-difluorophenol;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluorophenol;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butylphenol;4-tert-butylphenol;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;4-tert-butyl-2-(trifluoromethyl)phenol (CID 158037140) is 1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chlorophenol;bis(4-tert-butyl-1,2-dichlorobenzene);4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-2,6-difluorophenol;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluorophenol;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butylphenol;4-tert-butylphenol;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;4-tert-butyl-2-(trifluoromethyl)phenol.

What is the SMILES notation for 1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chlorophenol;bis(4-tert-butyl-1,2-dichlorobenzene);4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-2,6-difluorophenol;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluorophenol;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butylphenol;4-tert-butylphenol;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;4-tert-butyl-2-(trifluoromethyl)phenol?

The canonical SMILES for 1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chlorophenol;bis(4-tert-butyl-1,2-dichlorobenzene);4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-2,6-difluorophenol;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluorophenol;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butylphenol;4-tert-butylphenol;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;4-tert-butyl-2-(trifluoromethyl)phenol is CC(C)(C)c1cc(F)c(O)c(F)c1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(Cl)c(Cl)c1.CC(C)(C)c1ccc(Cl)c(Cl)c1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(O)c(C(F)(F)F)c1.CC(C)(C)c1ccc(O)c(Cl)c1.CC(C)(C)c1ccc(O)c(F)c1.CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1cccc(O)c1.COc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1OC.COc1cccc(C(C)(C)C)c1.

What is the InChIKey of 1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chlorophenol;bis(4-tert-butyl-1,2-dichlorobenzene);4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-2,6-difluorophenol;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluorophenol;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butylphenol;4-tert-butylphenol;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;4-tert-butyl-2-(trifluoromethyl)phenol?

The InChIKey is FHWUSCNAOWCVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2.C11H13F3O.2C11H13F3.2C11H16O.2C10H12Cl2.C10H13ClO.2C10H13Cl.C10H12F2O.C10H12F2.C10H13FO.2C10H13F.2C10H14O/c1-12(2,3)9-6-7-10(13-4)11(8-9)14-5;1-10(2,3)7-4-5-9(15)8(6-7)11(12,13)14;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-11(2,3)9-5-7-10(12-4)8-6-9;1-11(2,3)9-6-5-7-10(8-9)12-4;2*1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)7-4-5-9(12)8(11)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)6-4-7(11)9(13)8(12)5-6;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)7-4-5-9(12)8(11)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8/h6-8H,1-5H3;4-6,15H,1-3H3;2*4-7H,1-3H3;2*5-8H,1-4H3;2*4-6H,1-3H3;4-6,12H,1-3H3;2*4-7H,1-3H3;4-5,13H,1-3H3;4-6H,1-3H3;4-6,12H,1-3H3;2*4-7H,1-3H3;2*4-7,11H,1-3H3.

What are the key properties of 1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chlorophenol;bis(4-tert-butyl-1,2-dichlorobenzene);4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-2,6-difluorophenol;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluorophenol;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butylphenol;4-tert-butylphenol;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;4-tert-butyl-2-(trifluoromethyl)phenol?

1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chlorophenol;bis(4-tert-butyl-1,2-dichlorobenzene);4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-2,6-difluorophenol;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluorophenol;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butylphenol;4-tert-butylphenol;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;4-tert-butyl-2-(trifluoromethyl)phenol has a molecular weight of 3203.13 g/mol, XLogP of 60.59, 4 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2-chlorophenol;bis(4-tert-butyl-1,2-dichlorobenzene);4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-2,6-difluorophenol;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluorophenol;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butylphenol;4-tert-butylphenol;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;4-tert-butyl-2-(trifluoromethyl)phenol is sourced from PubChem (CID 158037140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).