1,4-dichloro-2-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(3-ethylphenyl)imidazole;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-(1-methylpyrazol-4-yl)-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;bis(5-(3-propan-2-ylphenyl)-1,3-oxazole);3-(3-propan-2-ylphenyl)pyridine;bis(1-propan-2-yl-3-propan-2-yloxybenzene);1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene

C193H237Cl2F10N11O8 — CID 161180315

About 1,4-dichloro-2-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(3-ethylphenyl)imidazole;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-(1-methylpyrazol-4-yl)-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;bis(5-(3-propan-2-ylphenyl)-1,3-oxazole);3-(3-propan-2-ylphenyl)pyridine;bis(1-propan-2-yl-3-propan-2-yloxybenzene);1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene

1,4-dichloro-2-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(3-ethylphenyl)imidazole;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-(1-methylpyrazol-4-yl)-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;bis(5-(3-propan-2-ylphenyl)-1,3-oxazole);3-(3-propan-2-ylphenyl)pyridine;bis(1-propan-2-yl-3-propan-2-yloxybenzene);1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene (PubChem CID 161180315) has the molecular formula C193H237Cl2F10N11O8 and a molecular weight of 3099.97 g/mol. Its IUPAC name is 1,4-dichloro-2-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(3-ethylphenyl)imidazole;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-(1-methylpyrazol-4-yl)-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;bis(5-(3-propan-2-ylphenyl)-1,3-oxazole);3-(3-propan-2-ylphenyl)pyridine;bis(1-propan-2-yl-3-propan-2-yloxybenzene);1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene.

Molecular Properties

• Compound Name: 1,4-dichloro-2-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(3-ethylphenyl)imidazole;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-(1-methylpyrazol-4-yl)-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;bis(5-(3-propan-2-ylphenyl)-1,3-oxazole);3-(3-propan-2-ylphenyl)pyridine;bis(1-propan-2-yl-3-propan-2-yloxybenzene);1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene
• PubChem CID: 161180315
• Molecular Formula: C193H237Cl2F10N11O8
• Molecular Weight: 3099.97 g/mol
• Exact Mass: 3096.77
• IUPAC Name: 1,4-dichloro-2-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(3-ethylphenyl)imidazole;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-(1-methylpyrazol-4-yl)-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;bis(5-(3-propan-2-ylphenyl)-1,3-oxazole);3-(3-propan-2-ylphenyl)pyridine;bis(1-propan-2-yl-3-propan-2-yloxybenzene);1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene
• SMILES: CC(C)Oc1cccc(C(C)C)c1.CC(C)Oc1cccc(C(C)C)c1.CC(C)c1cc(Cl)ccc1Cl.CC(C)c1ccc(C#N)cc1.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(-c2cccnc2)c1.CC(C)c1cccc(-c2cnco2)c1.CC(C)c1cccc(-c2cnco2)c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(OC(F)(F)C(F)F)c1.CC(C)c1cccc(OC(F)(F)F)c1.CC(C)c1nn(C)cc1-c1cnn(C)c1.CCOc1cccc(C(C)C)c1.CCc1cccc(-n2ccnc2)c1.CCc1cccc(C(C)C)c1.COc1cccc(C(C)C)c1
• InChI: InChI=1S/C15H16.C14H15N.2C12H13NO.C12H15N.2C12H18O.C11H12F4O.C11H16N4.C11H12N2.C11H16O.C11H16.C10H11F3O.C10H11F3.C10H11N.C10H14O.C9H10Cl2/c1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-11(2)12-5-3-6-13(9-12)14-7-4-8-15-10-14;2*1-9(2)10-4-3-5-11(6-10)12-7-13-8-14-12;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;2*1-9(2)11-6-5-7-12(8-11)13-10(3)4;1-7(2)8-4-3-5-9(6-8)16-11(14,15)10(12)13;1-8(2)11-10(7-15(4)13-11)9-5-12-14(3)6-9;1-2-10-4-3-5-11(8-10)13-7-6-12-9-13;1-4-12-11-7-5-6-10(8-11)9(2)3;1-4-10-6-5-7-11(8-10)9(2)3;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)9-5-4-6-10(7-9)11-3;1-6(2)8-5-7(10)3-4-9(8)11/h3-12H,1-2H3;3-11H,1-2H3;2*3-9H,1-2H3;4-9H,1-3H3;2*5-10H,1-4H3;3-7,10H,1-2H3;5-8H,1-4H3;3-9H,2H2,1H3;5-9H,4H2,1-3H3;5-9H,4H2,1-3H3;3-7H,1-2H3;3-7H,1-2H3;3-6,8H,1-2H3;4-8H,1-3H3;3-6H,1-2H3
• InChIKey: USJAAAKHHGDRBN-UHFFFAOYSA-N
• XLogP: 57.94
• TPSA: 202.51 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 35
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3099.97
LogP ≤ 5	57.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(3-ethylphenyl)imidazole;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-(1-methylpyrazol-4-yl)-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;bis(5-(3-propan-2-ylphenyl)-1,3-oxazole);3-(3-propan-2-ylphenyl)pyridine;bis(1-propan-2-yl-3-propan-2-yloxybenzene);1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene?

The IUPAC name of 1,4-dichloro-2-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(3-ethylphenyl)imidazole;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-(1-methylpyrazol-4-yl)-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;bis(5-(3-propan-2-ylphenyl)-1,3-oxazole);3-(3-propan-2-ylphenyl)pyridine;bis(1-propan-2-yl-3-propan-2-yloxybenzene);1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene (CID 161180315) is 1,4-dichloro-2-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(3-ethylphenyl)imidazole;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-(1-methylpyrazol-4-yl)-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;bis(5-(3-propan-2-ylphenyl)-1,3-oxazole);3-(3-propan-2-ylphenyl)pyridine;bis(1-propan-2-yl-3-propan-2-yloxybenzene);1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene.

What is the SMILES notation for 1,4-dichloro-2-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(3-ethylphenyl)imidazole;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-(1-methylpyrazol-4-yl)-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;bis(5-(3-propan-2-ylphenyl)-1,3-oxazole);3-(3-propan-2-ylphenyl)pyridine;bis(1-propan-2-yl-3-propan-2-yloxybenzene);1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene?

The canonical SMILES for 1,4-dichloro-2-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(3-ethylphenyl)imidazole;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-(1-methylpyrazol-4-yl)-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;bis(5-(3-propan-2-ylphenyl)-1,3-oxazole);3-(3-propan-2-ylphenyl)pyridine;bis(1-propan-2-yl-3-propan-2-yloxybenzene);1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene is CC(C)Oc1cccc(C(C)C)c1.CC(C)Oc1cccc(C(C)C)c1.CC(C)c1cc(Cl)ccc1Cl.CC(C)c1ccc(C#N)cc1.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(-c2cccnc2)c1.CC(C)c1cccc(-c2cnco2)c1.CC(C)c1cccc(-c2cnco2)c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(OC(F)(F)C(F)F)c1.CC(C)c1cccc(OC(F)(F)F)c1.CC(C)c1nn(C)cc1-c1cnn(C)c1.CCOc1cccc(C(C)C)c1.CCc1cccc(-n2ccnc2)c1.CCc1cccc(C(C)C)c1.COc1cccc(C(C)C)c1.

What is the InChIKey of 1,4-dichloro-2-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(3-ethylphenyl)imidazole;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-(1-methylpyrazol-4-yl)-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;bis(5-(3-propan-2-ylphenyl)-1,3-oxazole);3-(3-propan-2-ylphenyl)pyridine;bis(1-propan-2-yl-3-propan-2-yloxybenzene);1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene?

The InChIKey is USJAAAKHHGDRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.C14H15N.2C12H13NO.C12H15N.2C12H18O.C11H12F4O.C11H16N4.C11H12N2.C11H16O.C11H16.C10H11F3O.C10H11F3.C10H11N.C10H14O.C9H10Cl2/c1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-11(2)12-5-3-6-13(9-12)14-7-4-8-15-10-14;2*1-9(2)10-4-3-5-11(6-10)12-7-13-8-14-12;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;2*1-9(2)11-6-5-7-12(8-11)13-10(3)4;1-7(2)8-4-3-5-9(6-8)16-11(14,15)10(12)13;1-8(2)11-10(7-15(4)13-11)9-5-12-14(3)6-9;1-2-10-4-3-5-11(8-10)13-7-6-12-9-13;1-4-12-11-7-5-6-10(8-11)9(2)3;1-4-10-6-5-7-11(8-10)9(2)3;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)9-5-4-6-10(7-9)11-3;1-6(2)8-5-7(10)3-4-9(8)11/h3-12H,1-2H3;3-11H,1-2H3;2*3-9H,1-2H3;4-9H,1-3H3;2*5-10H,1-4H3;3-7,10H,1-2H3;5-8H,1-4H3;3-9H,2H2,1H3;5-9H,4H2,1-3H3;5-9H,4H2,1-3H3;3-7H,1-2H3;3-7H,1-2H3;3-6,8H,1-2H3;4-8H,1-3H3;3-6H,1-2H3.

What are the key properties of 1,4-dichloro-2-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(3-ethylphenyl)imidazole;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-(1-methylpyrazol-4-yl)-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;bis(5-(3-propan-2-ylphenyl)-1,3-oxazole);3-(3-propan-2-ylphenyl)pyridine;bis(1-propan-2-yl-3-propan-2-yloxybenzene);1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene?

1,4-dichloro-2-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(3-ethylphenyl)imidazole;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-(1-methylpyrazol-4-yl)-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;bis(5-(3-propan-2-ylphenyl)-1,3-oxazole);3-(3-propan-2-ylphenyl)pyridine;bis(1-propan-2-yl-3-propan-2-yloxybenzene);1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene has a molecular weight of 3099.97 g/mol, XLogP of 57.94, 35 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dichloro-2-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(3-ethylphenyl)imidazole;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-(1-methylpyrazol-4-yl)-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylindole;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;bis(5-(3-propan-2-ylphenyl)-1,3-oxazole);3-(3-propan-2-ylphenyl)pyridine;bis(1-propan-2-yl-3-propan-2-yloxybenzene);1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 161180315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).