1-tert-butyl-2-chlorobenzene;2-tert-butyl-1-chloro-3-fluorobenzene;1-tert-butyl-2-dimethylphosphorylbenzene;3-tert-butyl-2,4-dimethylpyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;4-tert-butyl-3-methylpyridine;2,5-ditert-butylfuran;2,5-ditert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);bis(2-methylpropane)

C145H251Cl2F2N4O2PS — CID 158492352

About 1-tert-butyl-2-chlorobenzene;2-tert-butyl-1-chloro-3-fluorobenzene;1-tert-butyl-2-dimethylphosphorylbenzene;3-tert-butyl-2,4-dimethylpyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;4-tert-butyl-3-methylpyridine;2,5-ditert-butylfuran;2,5-ditert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);bis(2-methylpropane)

1-tert-butyl-2-chlorobenzene;2-tert-butyl-1-chloro-3-fluorobenzene;1-tert-butyl-2-dimethylphosphorylbenzene;3-tert-butyl-2,4-dimethylpyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;4-tert-butyl-3-methylpyridine;2,5-ditert-butylfuran;2,5-ditert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);bis(2-methylpropane) (PubChem CID 158492352) has the molecular formula C145H251Cl2F2N4O2PS and a molecular weight of 2254.57 g/mol. Its IUPAC name is 1-tert-butyl-2-chlorobenzene;2-tert-butyl-1-chloro-3-fluorobenzene;1-tert-butyl-2-dimethylphosphorylbenzene;3-tert-butyl-2,4-dimethylpyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;4-tert-butyl-3-methylpyridine;2,5-ditert-butylfuran;2,5-ditert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);bis(2-methylpropane).

Molecular Properties

• Compound Name: 1-tert-butyl-2-chlorobenzene;2-tert-butyl-1-chloro-3-fluorobenzene;1-tert-butyl-2-dimethylphosphorylbenzene;3-tert-butyl-2,4-dimethylpyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;4-tert-butyl-3-methylpyridine;2,5-ditert-butylfuran;2,5-ditert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);bis(2-methylpropane)
• PubChem CID: 158492352
• Molecular Formula: C145H251Cl2F2N4O2PS
• Molecular Weight: 2254.57 g/mol
• Exact Mass: 2251.85
• IUPAC Name: 1-tert-butyl-2-chlorobenzene;2-tert-butyl-1-chloro-3-fluorobenzene;1-tert-butyl-2-dimethylphosphorylbenzene;3-tert-butyl-2,4-dimethylpyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;4-tert-butyl-3-methylpyridine;2,5-ditert-butylfuran;2,5-ditert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);bis(2-methylpropane)
• SMILES: CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1c(F)cccc1Cl.CC(C)(C)c1ccc(C(C)(C)C)o1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccc1F.CC(C)(C)c1ccccc1P(C)(C)=O.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)C.CC(C)C.Cc1ccccc1C(C)(C)C.Cc1cccnc1C(C)(C)C.Cc1ccnc(C)c1C(C)(C)C.Cc1cnccc1C(C)(C)C
• InChI: InChI=1S/C12H19OP.C12H20O.C11H19NS.C11H17N.C11H16.C10H12ClF.C10H13Cl.C10H13F.2C10H15N.6C5H12.2C4H10/c1-12(2,3)10-8-6-7-9-11(10)14(4,5)13;1-11(2,3)9-7-8-10(13-9)12(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-8-6-7-12-9(2)10(8)11(3,4)5;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)9-7(11)5-4-6-8(9)12;2*1-10(2,3)8-6-4-5-7-9(8)11;1-8-7-11-6-5-9(8)10(2,3)4;1-8-6-5-7-11-9(8)10(2,3)4;6*1-5(2,3)4;2*1-4(2)3/h6-9H,1-5H3;7-8H,1-6H3;7H,1-6H3;6-7H,1-5H3;5-8H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3;2*5-7H,1-4H3;6*1-4H3;2*4H,1-3H3
• InChIKey: HIVUYHXYOSJKSX-UHFFFAOYSA-N
• XLogP: 48.68
• TPSA: 81.77 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 1
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2254.57
LogP ≤ 5	48.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-chlorobenzene;2-tert-butyl-1-chloro-3-fluorobenzene;1-tert-butyl-2-dimethylphosphorylbenzene;3-tert-butyl-2,4-dimethylpyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;4-tert-butyl-3-methylpyridine;2,5-ditert-butylfuran;2,5-ditert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);bis(2-methylpropane)?

The IUPAC name of 1-tert-butyl-2-chlorobenzene;2-tert-butyl-1-chloro-3-fluorobenzene;1-tert-butyl-2-dimethylphosphorylbenzene;3-tert-butyl-2,4-dimethylpyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;4-tert-butyl-3-methylpyridine;2,5-ditert-butylfuran;2,5-ditert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);bis(2-methylpropane) (CID 158492352) is 1-tert-butyl-2-chlorobenzene;2-tert-butyl-1-chloro-3-fluorobenzene;1-tert-butyl-2-dimethylphosphorylbenzene;3-tert-butyl-2,4-dimethylpyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;4-tert-butyl-3-methylpyridine;2,5-ditert-butylfuran;2,5-ditert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);bis(2-methylpropane).

What is the SMILES notation for 1-tert-butyl-2-chlorobenzene;2-tert-butyl-1-chloro-3-fluorobenzene;1-tert-butyl-2-dimethylphosphorylbenzene;3-tert-butyl-2,4-dimethylpyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;4-tert-butyl-3-methylpyridine;2,5-ditert-butylfuran;2,5-ditert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);bis(2-methylpropane)?

The canonical SMILES for 1-tert-butyl-2-chlorobenzene;2-tert-butyl-1-chloro-3-fluorobenzene;1-tert-butyl-2-dimethylphosphorylbenzene;3-tert-butyl-2,4-dimethylpyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;4-tert-butyl-3-methylpyridine;2,5-ditert-butylfuran;2,5-ditert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);bis(2-methylpropane) is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1c(F)cccc1Cl.CC(C)(C)c1ccc(C(C)(C)C)o1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccc1F.CC(C)(C)c1ccccc1P(C)(C)=O.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)C.CC(C)C.Cc1ccccc1C(C)(C)C.Cc1cccnc1C(C)(C)C.Cc1ccnc(C)c1C(C)(C)C.Cc1cnccc1C(C)(C)C.

What is the InChIKey of 1-tert-butyl-2-chlorobenzene;2-tert-butyl-1-chloro-3-fluorobenzene;1-tert-butyl-2-dimethylphosphorylbenzene;3-tert-butyl-2,4-dimethylpyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;4-tert-butyl-3-methylpyridine;2,5-ditert-butylfuran;2,5-ditert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);bis(2-methylpropane)?

The InChIKey is HIVUYHXYOSJKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19OP.C12H20O.C11H19NS.C11H17N.C11H16.C10H12ClF.C10H13Cl.C10H13F.2C10H15N.6C5H12.2C4H10/c1-12(2,3)10-8-6-7-9-11(10)14(4,5)13;1-11(2,3)9-7-8-10(13-9)12(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-8-6-7-12-9(2)10(8)11(3,4)5;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)9-7(11)5-4-6-8(9)12;2*1-10(2,3)8-6-4-5-7-9(8)11;1-8-7-11-6-5-9(8)10(2,3)4;1-8-6-5-7-11-9(8)10(2,3)4;6*1-5(2,3)4;2*1-4(2)3/h6-9H,1-5H3;7-8H,1-6H3;7H,1-6H3;6-7H,1-5H3;5-8H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3;2*5-7H,1-4H3;6*1-4H3;2*4H,1-3H3.

What are the key properties of 1-tert-butyl-2-chlorobenzene;2-tert-butyl-1-chloro-3-fluorobenzene;1-tert-butyl-2-dimethylphosphorylbenzene;3-tert-butyl-2,4-dimethylpyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;4-tert-butyl-3-methylpyridine;2,5-ditert-butylfuran;2,5-ditert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);bis(2-methylpropane)?

1-tert-butyl-2-chlorobenzene;2-tert-butyl-1-chloro-3-fluorobenzene;1-tert-butyl-2-dimethylphosphorylbenzene;3-tert-butyl-2,4-dimethylpyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;4-tert-butyl-3-methylpyridine;2,5-ditert-butylfuran;2,5-ditert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);bis(2-methylpropane) has a molecular weight of 2254.57 g/mol, XLogP of 48.68, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-2-chlorobenzene;2-tert-butyl-1-chloro-3-fluorobenzene;1-tert-butyl-2-dimethylphosphorylbenzene;3-tert-butyl-2,4-dimethylpyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;4-tert-butyl-3-methylpyridine;2,5-ditert-butylfuran;2,5-ditert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);bis(2-methylpropane) is sourced from PubChem (CID 158492352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).