tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine

C142H176N6O4 — CID 158829006

About tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine

tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine (PubChem CID 158829006) has the molecular formula C142H176N6O4 and a molecular weight of 2031.01 g/mol. Its IUPAC name is tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine.

Molecular Properties

• Compound Name: tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine
• PubChem CID: 158829006
• Molecular Formula: C142H176N6O4
• Molecular Weight: 2031.01 g/mol
• Exact Mass: 2029.38
• IUPAC Name: tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine
• SMILES: CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2cccnc2)cc1.CC(C)(C)c1ccc(-c2ccncc2)cc1.CC(C)(C)c1ccc2c(c1)COC2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccncc1.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccccn1
• InChI: InChI=1S/C16H18.2C15H17N.C14H16.C13H15N.C12H16O.C11H14O.C10H12O2.C10H14.2C9H13N.C8H11N/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13;1-15(2,3)14-8-6-12(7-9-14)13-5-4-10-16-11-13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-7(2)8-5-3-4-6-9-8/h4-12H,1-3H3;2*4-11H,1-3H3;4-10H,1-3H3;4-9H,1-3H3;4-6H,7-8H2,1-3H3;3-4,7-8H,5-6H2,1-2H3;3-5,7H,6H2,1-2H3;4-8H,1-3H3;2*4-7H,1-3H3;3-7H,1-2H3
• InChIKey: IWURFJREGPNPOQ-UHFFFAOYSA-N
• XLogP: 38.66
• TPSA: 114.26 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2031.01
LogP ≤ 5	38.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine?

The IUPAC name of tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine (CID 158829006) is tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine.

What is the SMILES notation for tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine?

The canonical SMILES for tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine is CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2cccnc2)cc1.CC(C)(C)c1ccc(-c2ccncc2)cc1.CC(C)(C)c1ccc2c(c1)COC2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccncc1.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccccn1.

What is the InChIKey of tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine?

The InChIKey is IWURFJREGPNPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18.2C15H17N.C14H16.C13H15N.C12H16O.C11H14O.C10H12O2.C10H14.2C9H13N.C8H11N/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13;1-15(2,3)14-8-6-12(7-9-14)13-5-4-10-16-11-13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-7(2)8-5-3-4-6-9-8/h4-12H,1-3H3;2*4-11H,1-3H3;4-10H,1-3H3;4-9H,1-3H3;4-6H,7-8H2,1-3H3;3-4,7-8H,5-6H2,1-2H3;3-5,7H,6H2,1-2H3;4-8H,1-3H3;2*4-7H,1-3H3;3-7H,1-2H3.

What are the key properties of tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine?

tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine has a molecular weight of 2031.01 g/mol, XLogP of 38.66, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine is sourced from PubChem (CID 158829006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).