tert-butylbenzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-2-methylbenzene;pentakis(1-tert-butyl-3-methylbenzene);2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;bis(4-tert-butyl-2-methylpyridine);methane

C170H246Cl2F2N4O — CID 158186665

About tert-butylbenzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-2-methylbenzene;pentakis(1-tert-butyl-3-methylbenzene);2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;bis(4-tert-butyl-2-methylpyridine);methane

tert-butylbenzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-2-methylbenzene;pentakis(1-tert-butyl-3-methylbenzene);2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;bis(4-tert-butyl-2-methylpyridine);methane (PubChem CID 158186665) has the molecular formula C170H246Cl2F2N4O and a molecular weight of 2470.77 g/mol. Its IUPAC name is tert-butylbenzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-2-methylbenzene;pentakis(1-tert-butyl-3-methylbenzene);2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;bis(4-tert-butyl-2-methylpyridine);methane.

Molecular Properties

• Compound Name: tert-butylbenzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-2-methylbenzene;pentakis(1-tert-butyl-3-methylbenzene);2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;bis(4-tert-butyl-2-methylpyridine);methane
• PubChem CID: 158186665
• Molecular Formula: C170H246Cl2F2N4O
• Molecular Weight: 2470.77 g/mol
• Exact Mass: 2467.87
• IUPAC Name: tert-butylbenzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-2-methylbenzene;pentakis(1-tert-butyl-3-methylbenzene);2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;bis(4-tert-butyl-2-methylpyridine);methane
• SMILES: C.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccc1F.COc1ccccc1C(C)(C)C.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(Cl)cc(C(C)(C)C)c1.Cc1cc(F)cc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)n1.Cc1ccccc1C(C)(C)C.Cc1cncc(C(C)(C)C)c1
• InChI: InChI=1S/C11H15Cl.C11H15F.C11H16O.6C11H16.C10H13Cl.C10H13F.4C10H15N.C10H14.CH4/c2*1-8-5-9(11(2,3)4)7-10(12)6-8;1-11(2,3)9-7-5-6-8-10(9)12-4;5*1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;2*1-10(2,3)8-6-4-5-7-9(8)11;1-8-5-9(7-11-6-8)10(2,3)4;2*1-8-7-9(5-6-11-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;/h2*5-7H,1-4H3;5-8H,1-4H3;6*5-8H,1-4H3;2*4-7H,1-3H3;4*5-7H,1-4H3;4-8H,1-3H3;1H4
• InChIKey: FZFJABAVIYEKDO-UHFFFAOYSA-N
• XLogP: 51.26
• TPSA: 60.79 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2470.77
LogP ≤ 5	51.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-2-methylbenzene;pentakis(1-tert-butyl-3-methylbenzene);2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;bis(4-tert-butyl-2-methylpyridine);methane?

The IUPAC name of tert-butylbenzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-2-methylbenzene;pentakis(1-tert-butyl-3-methylbenzene);2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;bis(4-tert-butyl-2-methylpyridine);methane (CID 158186665) is tert-butylbenzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-2-methylbenzene;pentakis(1-tert-butyl-3-methylbenzene);2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;bis(4-tert-butyl-2-methylpyridine);methane.

What is the SMILES notation for tert-butylbenzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-2-methylbenzene;pentakis(1-tert-butyl-3-methylbenzene);2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;bis(4-tert-butyl-2-methylpyridine);methane?

The canonical SMILES for tert-butylbenzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-2-methylbenzene;pentakis(1-tert-butyl-3-methylbenzene);2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;bis(4-tert-butyl-2-methylpyridine);methane is C.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccc1F.COc1ccccc1C(C)(C)C.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(Cl)cc(C(C)(C)C)c1.Cc1cc(F)cc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)n1.Cc1ccccc1C(C)(C)C.Cc1cncc(C(C)(C)C)c1.

What is the InChIKey of tert-butylbenzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-2-methylbenzene;pentakis(1-tert-butyl-3-methylbenzene);2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;bis(4-tert-butyl-2-methylpyridine);methane?

The InChIKey is FZFJABAVIYEKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl.C11H15F.C11H16O.6C11H16.C10H13Cl.C10H13F.4C10H15N.C10H14.CH4/c2*1-8-5-9(11(2,3)4)7-10(12)6-8;1-11(2,3)9-7-5-6-8-10(9)12-4;5*1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;2*1-10(2,3)8-6-4-5-7-9(8)11;1-8-5-9(7-11-6-8)10(2,3)4;2*1-8-7-9(5-6-11-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;/h2*5-7H,1-4H3;5-8H,1-4H3;6*5-8H,1-4H3;2*4-7H,1-3H3;4*5-7H,1-4H3;4-8H,1-3H3;1H4.

What are the key properties of tert-butylbenzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-2-methylbenzene;pentakis(1-tert-butyl-3-methylbenzene);2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;bis(4-tert-butyl-2-methylpyridine);methane?

tert-butylbenzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-2-methylbenzene;pentakis(1-tert-butyl-3-methylbenzene);2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;bis(4-tert-butyl-2-methylpyridine);methane has a molecular weight of 2470.77 g/mol, XLogP of 51.26, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butylbenzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-2-methylbenzene;pentakis(1-tert-butyl-3-methylbenzene);2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;bis(4-tert-butyl-2-methylpyridine);methane is sourced from PubChem (CID 158186665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).