1-chloro-4-propan-2-ylbenzene;1-cyclobutyl-4-(2-methoxy-4-propan-2-ylphenyl)piperazine;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;ethyl 3-propan-2-ylbenzoate;4-methoxy-2-methyl-1-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;2-methyl-4-(4-propan-2-ylphenyl)-1-propylpiperazine;3-propan-2-ylbenzamide;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;(3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene

C178H251ClF8N14O11 — CID 158388610

About 1-chloro-4-propan-2-ylbenzene;1-cyclobutyl-4-(2-methoxy-4-propan-2-ylphenyl)piperazine;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;ethyl 3-propan-2-ylbenzoate;4-methoxy-2-methyl-1-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;2-methyl-4-(4-propan-2-ylphenyl)-1-propylpiperazine;3-propan-2-ylbenzamide;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;(3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene

1-chloro-4-propan-2-ylbenzene;1-cyclobutyl-4-(2-methoxy-4-propan-2-ylphenyl)piperazine;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;ethyl 3-propan-2-ylbenzoate;4-methoxy-2-methyl-1-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;2-methyl-4-(4-propan-2-ylphenyl)-1-propylpiperazine;3-propan-2-ylbenzamide;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;(3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene (PubChem CID 158388610) has the molecular formula C178H251ClF8N14O11 and a molecular weight of 2950.49 g/mol. Its IUPAC name is 1-chloro-4-propan-2-ylbenzene;1-cyclobutyl-4-(2-methoxy-4-propan-2-ylphenyl)piperazine;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;ethyl 3-propan-2-ylbenzoate;4-methoxy-2-methyl-1-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;2-methyl-4-(4-propan-2-ylphenyl)-1-propylpiperazine;3-propan-2-ylbenzamide;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;(3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene.

Molecular Properties

• Compound Name: 1-chloro-4-propan-2-ylbenzene;1-cyclobutyl-4-(2-methoxy-4-propan-2-ylphenyl)piperazine;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;ethyl 3-propan-2-ylbenzoate;4-methoxy-2-methyl-1-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;2-methyl-4-(4-propan-2-ylphenyl)-1-propylpiperazine;3-propan-2-ylbenzamide;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;(3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene
• PubChem CID: 158388610
• Molecular Formula: C178H251ClF8N14O11
• Molecular Weight: 2950.49 g/mol
• Exact Mass: 2947.91
• IUPAC Name: 1-chloro-4-propan-2-ylbenzene;1-cyclobutyl-4-(2-methoxy-4-propan-2-ylphenyl)piperazine;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;ethyl 3-propan-2-ylbenzoate;4-methoxy-2-methyl-1-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;2-methyl-4-(4-propan-2-ylphenyl)-1-propylpiperazine;3-propan-2-ylbenzamide;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;(3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene
• SMILES: CC(C)c1ccc(C2CCN(CC(F)(F)F)CC2)cc1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(N2CCN(CC(F)F)CC2)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc2c(c1)NCCO2.CC(C)c1cccc(C(=O)N2CCCC2)c1.CC(C)c1cccc(C(=O)N2CCN(C)CC2)c1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1cnc2c(c1)CCCO2.CCCN1CCN(c2ccc(C(C)C)cc2)CC1C.CCOC(=O)c1cccc(C(C)C)c1.COc1cc(C(C)C)ccc1N1CCN(C2CCC2)CC1.COc1ccc(C(C)C)c(C)c1.COc1ccc(C(C)C)cn1
• InChI: InChI=1S/C18H28N2O.C17H28N2.C16H22F3N.C15H22F2N2.C15H22N2O.C14H19NO.C12H16O2.2C11H15NO.C11H16O.C10H11F3O.C10H13NO.C9H11Cl.C9H13NO/c1-14(2)15-7-8-17(18(13-15)21-3)20-11-9-19(10-12-20)16-5-4-6-16;1-5-10-18-11-12-19(13-15(18)4)17-8-6-16(7-9-17)14(2)3;1-12(2)13-3-5-14(6-4-13)15-7-9-20(10-8-15)11-16(17,18)19;1-12(2)13-3-5-14(6-4-13)19-9-7-18(8-10-19)11-15(16)17;1-12(2)13-5-4-6-14(11-13)15(18)17-9-7-16(3)8-10-17;1-11(2)12-6-5-7-13(10-12)14(16)15-8-3-4-9-15;1-4-14-12(13)11-7-5-6-10(8-11)9(2)3;1-8(2)9-3-4-11-10(7-9)12-5-6-13-11;1-8(2)10-6-9-4-3-5-13-11(9)12-7-10;1-8(2)11-6-5-10(12-4)7-9(11)3;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-5-9(11-3)10-6-8/h7-8,13-14,16H,4-6,9-12H2,1-3H3;6-9,14-15H,5,10-13H2,1-4H3;3-6,12,15H,7-11H2,1-2H3;3-6,12,15H,7-11H2,1-2H3;4-6,11-12H,7-10H2,1-3H3;5-7,10-11H,3-4,8-9H2,1-2H3;5-9H,4H2,1-3H3;3-4,7-8,12H,5-6H2,1-2H3;6-8H,3-5H2,1-2H3;5-8H,1-4H3;3-7H,1-2H3;3-7H,1-2H3,(H2,11,12);3-7H,1-2H3;4-7H,1-3H3
• InChIKey: GWQYJPVUTMXBNS-UHFFFAOYSA-N
• XLogP: 42.77
• TPSA: 229.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 33
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2950.49
LogP ≤ 5	42.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-propan-2-ylbenzene;1-cyclobutyl-4-(2-methoxy-4-propan-2-ylphenyl)piperazine;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;ethyl 3-propan-2-ylbenzoate;4-methoxy-2-methyl-1-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;2-methyl-4-(4-propan-2-ylphenyl)-1-propylpiperazine;3-propan-2-ylbenzamide;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;(3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene?

The IUPAC name of 1-chloro-4-propan-2-ylbenzene;1-cyclobutyl-4-(2-methoxy-4-propan-2-ylphenyl)piperazine;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;ethyl 3-propan-2-ylbenzoate;4-methoxy-2-methyl-1-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;2-methyl-4-(4-propan-2-ylphenyl)-1-propylpiperazine;3-propan-2-ylbenzamide;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;(3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene (CID 158388610) is 1-chloro-4-propan-2-ylbenzene;1-cyclobutyl-4-(2-methoxy-4-propan-2-ylphenyl)piperazine;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;ethyl 3-propan-2-ylbenzoate;4-methoxy-2-methyl-1-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;2-methyl-4-(4-propan-2-ylphenyl)-1-propylpiperazine;3-propan-2-ylbenzamide;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;(3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene.

What is the SMILES notation for 1-chloro-4-propan-2-ylbenzene;1-cyclobutyl-4-(2-methoxy-4-propan-2-ylphenyl)piperazine;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;ethyl 3-propan-2-ylbenzoate;4-methoxy-2-methyl-1-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;2-methyl-4-(4-propan-2-ylphenyl)-1-propylpiperazine;3-propan-2-ylbenzamide;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;(3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene?

The canonical SMILES for 1-chloro-4-propan-2-ylbenzene;1-cyclobutyl-4-(2-methoxy-4-propan-2-ylphenyl)piperazine;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;ethyl 3-propan-2-ylbenzoate;4-methoxy-2-methyl-1-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;2-methyl-4-(4-propan-2-ylphenyl)-1-propylpiperazine;3-propan-2-ylbenzamide;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;(3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene is CC(C)c1ccc(C2CCN(CC(F)(F)F)CC2)cc1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(N2CCN(CC(F)F)CC2)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc2c(c1)NCCO2.CC(C)c1cccc(C(=O)N2CCCC2)c1.CC(C)c1cccc(C(=O)N2CCN(C)CC2)c1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1cnc2c(c1)CCCO2.CCCN1CCN(c2ccc(C(C)C)cc2)CC1C.CCOC(=O)c1cccc(C(C)C)c1.COc1cc(C(C)C)ccc1N1CCN(C2CCC2)CC1.COc1ccc(C(C)C)c(C)c1.COc1ccc(C(C)C)cn1.

What is the InChIKey of 1-chloro-4-propan-2-ylbenzene;1-cyclobutyl-4-(2-methoxy-4-propan-2-ylphenyl)piperazine;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;ethyl 3-propan-2-ylbenzoate;4-methoxy-2-methyl-1-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;2-methyl-4-(4-propan-2-ylphenyl)-1-propylpiperazine;3-propan-2-ylbenzamide;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;(3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene?

The InChIKey is GWQYJPVUTMXBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.C17H28N2.C16H22F3N.C15H22F2N2.C15H22N2O.C14H19NO.C12H16O2.2C11H15NO.C11H16O.C10H11F3O.C10H13NO.C9H11Cl.C9H13NO/c1-14(2)15-7-8-17(18(13-15)21-3)20-11-9-19(10-12-20)16-5-4-6-16;1-5-10-18-11-12-19(13-15(18)4)17-8-6-16(7-9-17)14(2)3;1-12(2)13-3-5-14(6-4-13)15-7-9-20(10-8-15)11-16(17,18)19;1-12(2)13-3-5-14(6-4-13)19-9-7-18(8-10-19)11-15(16)17;1-12(2)13-5-4-6-14(11-13)15(18)17-9-7-16(3)8-10-17;1-11(2)12-6-5-7-13(10-12)14(16)15-8-3-4-9-15;1-4-14-12(13)11-7-5-6-10(8-11)9(2)3;1-8(2)9-3-4-11-10(7-9)12-5-6-13-11;1-8(2)10-6-9-4-3-5-13-11(9)12-7-10;1-8(2)11-6-5-10(12-4)7-9(11)3;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-5-9(11-3)10-6-8/h7-8,13-14,16H,4-6,9-12H2,1-3H3;6-9,14-15H,5,10-13H2,1-4H3;3-6,12,15H,7-11H2,1-2H3;3-6,12,15H,7-11H2,1-2H3;4-6,11-12H,7-10H2,1-3H3;5-7,10-11H,3-4,8-9H2,1-2H3;5-9H,4H2,1-3H3;3-4,7-8,12H,5-6H2,1-2H3;6-8H,3-5H2,1-2H3;5-8H,1-4H3;3-7H,1-2H3;3-7H,1-2H3,(H2,11,12);3-7H,1-2H3;4-7H,1-3H3.

What are the key properties of 1-chloro-4-propan-2-ylbenzene;1-cyclobutyl-4-(2-methoxy-4-propan-2-ylphenyl)piperazine;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;ethyl 3-propan-2-ylbenzoate;4-methoxy-2-methyl-1-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;2-methyl-4-(4-propan-2-ylphenyl)-1-propylpiperazine;3-propan-2-ylbenzamide;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;(3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene?

1-chloro-4-propan-2-ylbenzene;1-cyclobutyl-4-(2-methoxy-4-propan-2-ylphenyl)piperazine;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;ethyl 3-propan-2-ylbenzoate;4-methoxy-2-methyl-1-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;2-methyl-4-(4-propan-2-ylphenyl)-1-propylpiperazine;3-propan-2-ylbenzamide;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;(3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene has a molecular weight of 2950.49 g/mol, XLogP of 42.77, 33 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-4-propan-2-ylbenzene;1-cyclobutyl-4-(2-methoxy-4-propan-2-ylphenyl)piperazine;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;ethyl 3-propan-2-ylbenzoate;4-methoxy-2-methyl-1-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;2-methyl-4-(4-propan-2-ylphenyl)-1-propylpiperazine;3-propan-2-ylbenzamide;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;(3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidine;1-propan-2-yl-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 158388610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).