1-cyclohexyloxy-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;methane;1-methoxy-2-propan-2-ylbenzene;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;(3R)-3-(3-propan-2-ylphenoxy)pyrrolidine;4-(3-propan-2-ylphenyl)pyridine

C130H187F2N7O7S — CID 161262790

About 1-cyclohexyloxy-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;methane;1-methoxy-2-propan-2-ylbenzene;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;(3R)-3-(3-propan-2-ylphenoxy)pyrrolidine;4-(3-propan-2-ylphenyl)pyridine

1-cyclohexyloxy-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;methane;1-methoxy-2-propan-2-ylbenzene;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;(3R)-3-(3-propan-2-ylphenoxy)pyrrolidine;4-(3-propan-2-ylphenyl)pyridine (PubChem CID 161262790) has the molecular formula C130H187F2N7O7S and a molecular weight of 2030.03 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;methane;1-methoxy-2-propan-2-ylbenzene;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;(3R)-3-(3-propan-2-ylphenoxy)pyrrolidine;4-(3-propan-2-ylphenyl)pyridine.

Molecular Properties

• Compound Name: 1-cyclohexyloxy-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;methane;1-methoxy-2-propan-2-ylbenzene;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;(3R)-3-(3-propan-2-ylphenoxy)pyrrolidine;4-(3-propan-2-ylphenyl)pyridine
• PubChem CID: 161262790
• Molecular Formula: C130H187F2N7O7S
• Molecular Weight: 2030.03 g/mol
• Exact Mass: 2028.42
• IUPAC Name: 1-cyclohexyloxy-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;methane;1-methoxy-2-propan-2-ylbenzene;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;(3R)-3-(3-propan-2-ylphenoxy)pyrrolidine;4-(3-propan-2-ylphenyl)pyridine
• SMILES: C.C.C.CC(C)c1ccc2c(c1)OC(F)(F)O2.CC(C)c1ccc2c(c1)OCCN2C.CC(C)c1cccc(-c2ccncc2)c1.CC(C)c1cccc(OC2CCCCC2)c1.CC(C)c1cccc(O[C@@H]2CCNC2)c1.CC(C)c1cnc2c(c1)OCCN2C.COc1ccccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccccc1C(C)C.Cc1nc(N2CCCCC2)sc1C(C)C
• InChI: InChI=1S/C15H22O.C14H15N.C13H19NO.C12H20N2S.C12H17NO.C11H16N2O.C10H10F2O2.C10H14O.3C10H14.3CH4/c1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;1-11(2)13-4-3-5-14(10-13)12-6-8-15-9-7-12;1-10(2)11-4-3-5-12(8-11)15-13-6-7-14-9-13;1-9(2)11-10(3)13-12(15-11)14-7-5-4-6-8-14;1-9(2)10-4-5-11-12(8-10)14-7-6-13(11)3;1-8(2)9-6-10-11(12-7-9)13(3)4-5-14-10;1-6(2)7-3-4-8-9(5-7)14-10(11,12)13-8;1-8(2)9-6-4-5-7-10(9)11-3;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;;;/h6-7,10-12,14H,3-5,8-9H2,1-2H3;3-11H,1-2H3;3-5,8,10,13-14H,6-7,9H2,1-2H3;9H,4-8H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;6-8H,4-5H2,1-3H3;3-6H,1-2H3;4-8H,1-3H3;3*4-8H,1-3H3;3*1H4/t;;13-;;;;;;;;;;;/m..1.........../s1
• InChIKey: VCTXQODGYMTAGV-DHCKBLLNSA-N
• XLogP: 36.40
• TPSA: 125.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2030.03
LogP ≤ 5	36.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;methane;1-methoxy-2-propan-2-ylbenzene;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;(3R)-3-(3-propan-2-ylphenoxy)pyrrolidine;4-(3-propan-2-ylphenyl)pyridine?

The IUPAC name of 1-cyclohexyloxy-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;methane;1-methoxy-2-propan-2-ylbenzene;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;(3R)-3-(3-propan-2-ylphenoxy)pyrrolidine;4-(3-propan-2-ylphenyl)pyridine (CID 161262790) is 1-cyclohexyloxy-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;methane;1-methoxy-2-propan-2-ylbenzene;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;(3R)-3-(3-propan-2-ylphenoxy)pyrrolidine;4-(3-propan-2-ylphenyl)pyridine.

What is the SMILES notation for 1-cyclohexyloxy-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;methane;1-methoxy-2-propan-2-ylbenzene;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;(3R)-3-(3-propan-2-ylphenoxy)pyrrolidine;4-(3-propan-2-ylphenyl)pyridine?

The canonical SMILES for 1-cyclohexyloxy-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;methane;1-methoxy-2-propan-2-ylbenzene;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;(3R)-3-(3-propan-2-ylphenoxy)pyrrolidine;4-(3-propan-2-ylphenyl)pyridine is C.C.C.CC(C)c1ccc2c(c1)OC(F)(F)O2.CC(C)c1ccc2c(c1)OCCN2C.CC(C)c1cccc(-c2ccncc2)c1.CC(C)c1cccc(OC2CCCCC2)c1.CC(C)c1cccc(O[C@@H]2CCNC2)c1.CC(C)c1cnc2c(c1)OCCN2C.COc1ccccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccccc1C(C)C.Cc1nc(N2CCCCC2)sc1C(C)C.

What is the InChIKey of 1-cyclohexyloxy-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;methane;1-methoxy-2-propan-2-ylbenzene;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;(3R)-3-(3-propan-2-ylphenoxy)pyrrolidine;4-(3-propan-2-ylphenyl)pyridine?

The InChIKey is VCTXQODGYMTAGV-DHCKBLLNSA-N. The full InChI is InChI=1S/C15H22O.C14H15N.C13H19NO.C12H20N2S.C12H17NO.C11H16N2O.C10H10F2O2.C10H14O.3C10H14.3CH4/c1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;1-11(2)13-4-3-5-14(10-13)12-6-8-15-9-7-12;1-10(2)11-4-3-5-12(8-11)15-13-6-7-14-9-13;1-9(2)11-10(3)13-12(15-11)14-7-5-4-6-8-14;1-9(2)10-4-5-11-12(8-10)14-7-6-13(11)3;1-8(2)9-6-10-11(12-7-9)13(3)4-5-14-10;1-6(2)7-3-4-8-9(5-7)14-10(11,12)13-8;1-8(2)9-6-4-5-7-10(9)11-3;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;;;/h6-7,10-12,14H,3-5,8-9H2,1-2H3;3-11H,1-2H3;3-5,8,10,13-14H,6-7,9H2,1-2H3;9H,4-8H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;6-8H,4-5H2,1-3H3;3-6H,1-2H3;4-8H,1-3H3;3*4-8H,1-3H3;3*1H4/t;;13-;;;;;;;;;;;/m..1.........../s1.

What are the key properties of 1-cyclohexyloxy-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;methane;1-methoxy-2-propan-2-ylbenzene;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;(3R)-3-(3-propan-2-ylphenoxy)pyrrolidine;4-(3-propan-2-ylphenyl)pyridine?

1-cyclohexyloxy-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;methane;1-methoxy-2-propan-2-ylbenzene;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;(3R)-3-(3-propan-2-ylphenoxy)pyrrolidine;4-(3-propan-2-ylphenyl)pyridine has a molecular weight of 2030.03 g/mol, XLogP of 36.40, 18 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyloxy-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;methane;1-methoxy-2-propan-2-ylbenzene;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;(3R)-3-(3-propan-2-ylphenoxy)pyrrolidine;4-(3-propan-2-ylphenyl)pyridine is sourced from PubChem (CID 161262790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).