1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzoxazole;N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;N-(4-propan-2-ylphenyl)acetamide

C209H265F3N6O10S2 — CID 157252887

About 1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzoxazole;N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;N-(4-propan-2-ylphenyl)acetamide

1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzoxazole;N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;N-(4-propan-2-ylphenyl)acetamide (PubChem CID 157252887) has the molecular formula C209H265F3N6O10S2 and a molecular weight of 3142.58 g/mol. Its IUPAC name is 1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzoxazole;N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzoxazole;N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;N-(4-propan-2-ylphenyl)acetamide
• PubChem CID: 157252887
• Molecular Formula: C209H265F3N6O10S2
• Molecular Weight: 3142.58 g/mol
• Exact Mass: 3139.98
• IUPAC Name: 1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzoxazole;N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;N-(4-propan-2-ylphenyl)acetamide
• SMILES: C/N=C/c1ccc(C(C)C)cc1.CC(=O)Nc1ccc(C(C)C)cc1.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2occc2c1.CCc1ccc(C(C)C)cc1.COc1cccc(C(C)C)c1.Cc1cc(F)c(C(C)C)cc1F.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)nc1.Cc1nc2ccc(C(C)C)cc2o1.Cc1nc2ccc(C(C)C)cc2s1
• InChI: InChI=1S/C11H13NO.C11H15NO.C11H13NS.C11H15N.C11H14O.4C11H12O.C11H16.C10H12F2.C10H13F.C10H11NS.C10H12O2.C10H14O.4C10H14.C9H13N/c1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)10-4-6-11(7-5-10)12-9(3)13;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-9(2)11-6-4-10(5-7-11)8-12-3;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;3*1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-4-10-5-7-11(8-6-10)9(2)3;1-6(2)8-5-9(11)7(3)4-10(8)12;1-7(2)9-5-4-8(3)10(11)6-9;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-5-4-6-10(7-9)11-3;4*1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-4-8(3)6-10-9/h4-7H,1-3H3;4-8H,1-3H3,(H,12,13);4-7H,1-3H3;4-9H,1-3H3;3-4,7-8H,5-6H2,1-2H3;4*3-8H,1-2H3;5-9H,4H2,1-3H3;4-6H,1-3H3;4-7H,1-3H3;3-7H,1-2H3;3-5,7H,6H2,1-2H3;4-8H,1-3H3;4*4-8H,1-3H3;4-7H,1-3H3/b;;;12-8+
• InChIKey: AWNRXEBSYXDFNE-RGCUBNSVSA-N
• XLogP: 63.38
• TPSA: 195.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 24
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3142.58
LogP ≤ 5	63.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzoxazole;N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;N-(4-propan-2-ylphenyl)acetamide?

The IUPAC name of 1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzoxazole;N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;N-(4-propan-2-ylphenyl)acetamide (CID 157252887) is 1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzoxazole;N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;N-(4-propan-2-ylphenyl)acetamide.

What is the SMILES notation for 1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzoxazole;N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;N-(4-propan-2-ylphenyl)acetamide?

The canonical SMILES for 1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzoxazole;N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;N-(4-propan-2-ylphenyl)acetamide is C/N=C/c1ccc(C(C)C)cc1.CC(=O)Nc1ccc(C(C)C)cc1.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2occc2c1.CCc1ccc(C(C)C)cc1.COc1cccc(C(C)C)c1.Cc1cc(F)c(C(C)C)cc1F.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)nc1.Cc1nc2ccc(C(C)C)cc2o1.Cc1nc2ccc(C(C)C)cc2s1.

What is the InChIKey of 1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzoxazole;N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;N-(4-propan-2-ylphenyl)acetamide?

The InChIKey is AWNRXEBSYXDFNE-RGCUBNSVSA-N. The full InChI is InChI=1S/C11H13NO.C11H15NO.C11H13NS.C11H15N.C11H14O.4C11H12O.C11H16.C10H12F2.C10H13F.C10H11NS.C10H12O2.C10H14O.4C10H14.C9H13N/c1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)10-4-6-11(7-5-10)12-9(3)13;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-9(2)11-6-4-10(5-7-11)8-12-3;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;3*1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-4-10-5-7-11(8-6-10)9(2)3;1-6(2)8-5-9(11)7(3)4-10(8)12;1-7(2)9-5-4-8(3)10(11)6-9;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-5-4-6-10(7-9)11-3;4*1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-4-8(3)6-10-9/h4-7H,1-3H3;4-8H,1-3H3,(H,12,13);4-7H,1-3H3;4-9H,1-3H3;3-4,7-8H,5-6H2,1-2H3;4*3-8H,1-2H3;5-9H,4H2,1-3H3;4-6H,1-3H3;4-7H,1-3H3;3-7H,1-2H3;3-5,7H,6H2,1-2H3;4-8H,1-3H3;4*4-8H,1-3H3;4-7H,1-3H3/b;;;12-8+;;;;;;;;;;;;;;;;.

What are the key properties of 1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzoxazole;N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;N-(4-propan-2-ylphenyl)acetamide?

1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzoxazole;N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 3142.58 g/mol, XLogP of 63.38, 24 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzoxazole;N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 157252887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).