1-chloro-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;ethyl 3-propan-2-ylbenzoate;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;4-(4-methoxy-5-propan-2-yl-2-pyridinyl)morpholine;2-methyl-4-(4-propan-2-ylphenyl)-1-propylpiperazine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;(3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol

C155H225ClF4N10O12 — CID 158664106

About 1-chloro-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;ethyl 3-propan-2-ylbenzoate;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;4-(4-methoxy-5-propan-2-yl-2-pyridinyl)morpholine;2-methyl-4-(4-propan-2-ylphenyl)-1-propylpiperazine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;(3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol

1-chloro-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;ethyl 3-propan-2-ylbenzoate;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;4-(4-methoxy-5-propan-2-yl-2-pyridinyl)morpholine;2-methyl-4-(4-propan-2-ylphenyl)-1-propylpiperazine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;(3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol (PubChem CID 158664106) has the molecular formula C155H225ClF4N10O12 and a molecular weight of 2532.01 g/mol. Its IUPAC name is 1-chloro-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;ethyl 3-propan-2-ylbenzoate;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;4-(4-methoxy-5-propan-2-yl-2-pyridinyl)morpholine;2-methyl-4-(4-propan-2-ylphenyl)-1-propylpiperazine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;(3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol.

Molecular Properties

• Compound Name: 1-chloro-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;ethyl 3-propan-2-ylbenzoate;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;4-(4-methoxy-5-propan-2-yl-2-pyridinyl)morpholine;2-methyl-4-(4-propan-2-ylphenyl)-1-propylpiperazine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;(3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol
• PubChem CID: 158664106
• Molecular Formula: C155H225ClF4N10O12
• Molecular Weight: 2532.01 g/mol
• Exact Mass: 2529.69
• IUPAC Name: 1-chloro-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;ethyl 3-propan-2-ylbenzoate;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;4-(4-methoxy-5-propan-2-yl-2-pyridinyl)morpholine;2-methyl-4-(4-propan-2-ylphenyl)-1-propylpiperazine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;(3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol
• SMILES: CC(C)c1ccc(C(C)(C)O)nc1.CC(C)c1ccc(C2CCN(CC(F)F)CC2)cc1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(OC(C)(F)F)cc1.CC(C)c1ccc2c(c1)NCCO2.CC(C)c1cccc(C(=O)N2CCCC2)c1.CCC(=O)N1CCN(c2ccc(C(C)C)cc2OC)CC1.CCCN1CCN(c2ccc(C(C)C)cc2)CC1C.CCOC(=O)c1cccc(C(C)C)c1.COC(C)(C)c1ccc(C(C)C)cc1.COc1cc(N2CCOCC2)ncc1C(C)C.COc1ccc(C(C)C)c(C)c1
• InChI: InChI=1S/C17H26N2O2.C17H28N2.C16H23F2N.C14H19NO.C13H20N2O2.C13H20O.C12H16O2.C11H14F2O.C11H15NO.C11H17NO.C11H16O.C9H11Cl/c1-5-17(20)19-10-8-18(9-11-19)15-7-6-14(13(2)3)12-16(15)21-4;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)15-7-9-19(10-8-15)11-16(17)18;1-11(2)12-6-5-7-13(10-12)14(16)15-8-3-4-9-15;1-10(2)11-9-14-13(8-12(11)16-3)15-4-6-17-7-5-15;1-10(2)11-6-8-12(9-7-11)13(3,4)14-5;1-4-14-12(13)11-7-5-6-10(8-11)9(2)3;1-8(2)9-4-6-10(7-5-9)14-11(3,12)13;1-8(2)9-3-4-11-10(7-9)12-5-6-13-11;1-8(2)9-5-6-10(12-7-9)11(3,4)13;1-8(2)11-6-5-10(12-4)7-9(11)3;1-7(2)8-3-5-9(10)6-4-8/h6-7,12-13H,5,8-11H2,1-4H3;6-9,14-15H,5,10-13H2,1-4H3;3-6,12,15-16H,7-11H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;8-10H,4-7H2,1-3H3;6-10H,1-5H3;5-9H,4H2,1-3H3;4-8H,1-3H3;3-4,7-8,12H,5-6H2,1-2H3;5-8,13H,1-4H3;5-8H,1-4H3;3-7H,1-2H3
• InChIKey: IDDCLOSEUROXNK-UHFFFAOYSA-N
• XLogP: 38.08
• TPSA: 205.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 32
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2532.01
LogP ≤ 5	38.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

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-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;ethyl 3-propan-2-ylbenzoate;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;4-(4-methoxy-5-propan-2-yl-2-pyridinyl)morpholine;2-methyl-4-(4-propan-2-ylphenyl)-1-propylpiperazine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;(3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol?

The IUPAC name of 1-chloro-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;ethyl 3-propan-2-ylbenzoate;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;4-(4-methoxy-5-propan-2-yl-2-pyridinyl)morpholine;2-methyl-4-(4-propan-2-ylphenyl)-1-propylpiperazine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;(3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol (CID 158664106) is 1-chloro-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;ethyl 3-propan-2-ylbenzoate;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;4-(4-methoxy-5-propan-2-yl-2-pyridinyl)morpholine;2-methyl-4-(4-propan-2-ylphenyl)-1-propylpiperazine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;(3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol.

What is the SMILES notation for 1-chloro-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;ethyl 3-propan-2-ylbenzoate;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;4-(4-methoxy-5-propan-2-yl-2-pyridinyl)morpholine;2-methyl-4-(4-propan-2-ylphenyl)-1-propylpiperazine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;(3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol?

The canonical SMILES for 1-chloro-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;ethyl 3-propan-2-ylbenzoate;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;4-(4-methoxy-5-propan-2-yl-2-pyridinyl)morpholine;2-methyl-4-(4-propan-2-ylphenyl)-1-propylpiperazine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;(3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol is CC(C)c1ccc(C(C)(C)O)nc1.CC(C)c1ccc(C2CCN(CC(F)F)CC2)cc1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(OC(C)(F)F)cc1.CC(C)c1ccc2c(c1)NCCO2.CC(C)c1cccc(C(=O)N2CCCC2)c1.CCC(=O)N1CCN(c2ccc(C(C)C)cc2OC)CC1.CCCN1CCN(c2ccc(C(C)C)cc2)CC1C.CCOC(=O)c1cccc(C(C)C)c1.COC(C)(C)c1ccc(C(C)C)cc1.COc1cc(N2CCOCC2)ncc1C(C)C.COc1ccc(C(C)C)c(C)c1.

What is the InChIKey of 1-chloro-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;ethyl 3-propan-2-ylbenzoate;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;4-(4-methoxy-5-propan-2-yl-2-pyridinyl)morpholine;2-methyl-4-(4-propan-2-ylphenyl)-1-propylpiperazine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;(3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol?

The InChIKey is IDDCLOSEUROXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.C17H28N2.C16H23F2N.C14H19NO.C13H20N2O2.C13H20O.C12H16O2.C11H14F2O.C11H15NO.C11H17NO.C11H16O.C9H11Cl/c1-5-17(20)19-10-8-18(9-11-19)15-7-6-14(13(2)3)12-16(15)21-4;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)15-7-9-19(10-8-15)11-16(17)18;1-11(2)12-6-5-7-13(10-12)14(16)15-8-3-4-9-15;1-10(2)11-9-14-13(8-12(11)16-3)15-4-6-17-7-5-15;1-10(2)11-6-8-12(9-7-11)13(3,4)14-5;1-4-14-12(13)11-7-5-6-10(8-11)9(2)3;1-8(2)9-4-6-10(7-5-9)14-11(3,12)13;1-8(2)9-3-4-11-10(7-9)12-5-6-13-11;1-8(2)9-5-6-10(12-7-9)11(3,4)13;1-8(2)11-6-5-10(12-4)7-9(11)3;1-7(2)8-3-5-9(10)6-4-8/h6-7,12-13H,5,8-11H2,1-4H3;6-9,14-15H,5,10-13H2,1-4H3;3-6,12,15-16H,7-11H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;8-10H,4-7H2,1-3H3;6-10H,1-5H3;5-9H,4H2,1-3H3;4-8H,1-3H3;3-4,7-8,12H,5-6H2,1-2H3;5-8,13H,1-4H3;5-8H,1-4H3;3-7H,1-2H3.

What are the key properties of 1-chloro-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;ethyl 3-propan-2-ylbenzoate;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;4-(4-methoxy-5-propan-2-yl-2-pyridinyl)morpholine;2-methyl-4-(4-propan-2-ylphenyl)-1-propylpiperazine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;(3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol?

1-chloro-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;ethyl 3-propan-2-ylbenzoate;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;4-(4-methoxy-5-propan-2-yl-2-pyridinyl)morpholine;2-methyl-4-(4-propan-2-ylphenyl)-1-propylpiperazine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;(3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol has a molecular weight of 2532.01 g/mol, XLogP of 38.08, 32 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;ethyl 3-propan-2-ylbenzoate;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;4-(4-methoxy-5-propan-2-yl-2-pyridinyl)morpholine;2-methyl-4-(4-propan-2-ylphenyl)-1-propylpiperazine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;(3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 158664106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).