5-chloro-2-(2,2-dimethylpropoxy)benzonitrile;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-fluoro-4-(propan-2-yloxymethyl)piperidine;3-chloro-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yloxy-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1,3-dichloro-5-(2,2-dimethylpropoxy)benzene;1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(3R)-1-[(2,6-dichlorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]piperidine;4-(2,2-dimethylpropoxy)-1,2-dimethylbenzene;1-(propan-2-yloxymethyl)adamantane

C124H176Cl10F6N6O11 — CID 158864262

About 5-chloro-2-(2,2-dimethylpropoxy)benzonitrile;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-fluoro-4-(propan-2-yloxymethyl)piperidine;3-chloro-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yloxy-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1,3-dichloro-5-(2,2-dimethylpropoxy)benzene;1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(3R)-1-[(2,6-dichlorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]piperidine;4-(2,2-dimethylpropoxy)-1,2-dimethylbenzene;1-(propan-2-yloxymethyl)adamantane

5-chloro-2-(2,2-dimethylpropoxy)benzonitrile;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-fluoro-4-(propan-2-yloxymethyl)piperidine;3-chloro-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yloxy-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1,3-dichloro-5-(2,2-dimethylpropoxy)benzene;1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(3R)-1-[(2,6-dichlorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]piperidine;4-(2,2-dimethylpropoxy)-1,2-dimethylbenzene;1-(propan-2-yloxymethyl)adamantane (PubChem CID 158864262) has the molecular formula C124H176Cl10F6N6O11 and a molecular weight of 2395.32 g/mol. Its IUPAC name is 5-chloro-2-(2,2-dimethylpropoxy)benzonitrile;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-fluoro-4-(propan-2-yloxymethyl)piperidine;3-chloro-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yloxy-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1,3-dichloro-5-(2,2-dimethylpropoxy)benzene;1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(3R)-1-[(2,6-dichlorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]piperidine;4-(2,2-dimethylpropoxy)-1,2-dimethylbenzene;1-(propan-2-yloxymethyl)adamantane.

Molecular Properties

• Compound Name: 5-chloro-2-(2,2-dimethylpropoxy)benzonitrile;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-fluoro-4-(propan-2-yloxymethyl)piperidine;3-chloro-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yloxy-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1,3-dichloro-5-(2,2-dimethylpropoxy)benzene;1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(3R)-1-[(2,6-dichlorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]piperidine;4-(2,2-dimethylpropoxy)-1,2-dimethylbenzene;1-(propan-2-yloxymethyl)adamantane
• PubChem CID: 158864262
• Molecular Formula: C124H176Cl10F6N6O11
• Molecular Weight: 2395.32 g/mol
• Exact Mass: 2389.02
• IUPAC Name: 5-chloro-2-(2,2-dimethylpropoxy)benzonitrile;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-fluoro-4-(propan-2-yloxymethyl)piperidine;3-chloro-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yloxy-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1,3-dichloro-5-(2,2-dimethylpropoxy)benzene;1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(3R)-1-[(2,6-dichlorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]piperidine;4-(2,2-dimethylpropoxy)-1,2-dimethylbenzene;1-(propan-2-yloxymethyl)adamantane
• SMILES: CC(C)(C)COc1cc(Cl)cc(Cl)c1.CC(C)(C)COc1ccc(Cl)cc1C#N.CC(C)(C)O[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1.CC(C)OCC12CC3CC(CC(C3)C1)C2.CC(C)Oc1cnc(OCC(F)(F)C(F)F)c(Cl)c1.CC(C)Oc1ncc(OC(C)(C)C)cc1Cl.C[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC(COC(C)(C)C)CC1.Cc1cc(Cl)c(F)c(CN2CCC(F)(COC(C)C)CC2)c1.Cc1ccc(OCC(C)(C)C)cc1C
• InChI: InChI=1S/C18H27Cl2NO.C17H24ClF2NO.C16H23Cl2NO.C14H24O.C13H20O.C12H18ClNO2.C12H14ClNO.C11H14Cl2O.C11H12ClF4NO2/c1-13(15-9-16(19)11-17(20)10-15)21-7-5-14(6-8-21)12-22-18(2,3)4;1-12(2)22-11-17(20)4-6-21(7-5-17)10-14-8-13(3)9-15(18)16(14)19;1-16(2,3)20-12-6-5-9-19(10-12)11-13-14(17)7-4-8-15(13)18;1-10(2)15-9-14-6-11-3-12(7-14)5-13(4-11)8-14;1-10-6-7-12(8-11(10)2)14-9-13(3,4)5;1-8(2)15-11-10(13)6-9(7-14-11)16-12(3,4)5;1-12(2,3)8-15-11-5-4-10(13)6-9(11)7-14;1-11(2,3)7-14-10-5-8(12)4-9(13)6-10;1-6(2)19-7-3-8(12)9(17-4-7)18-5-11(15,16)10(13)14/h9-11,13-14H,5-8,12H2,1-4H3;8-9,12H,4-7,10-11H2,1-3H3;4,7-8,12H,5-6,9-11H2,1-3H3;10-13H,3-9H2,1-2H3;6-8H,9H2,1-5H3;6-8H,1-5H3;4-6H,8H2,1-3H3;4-6H,7H2,1-3H3;3-4,6,10H,5H2,1-2H3/t13-;;12-;;;;;;/m0.1....../s1
• InChIKey: JBAMSQQQBIOTFI-IBZONEEUSA-N
• XLogP: 37.78
• TPSA: 160.82 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 30
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2395.32
LogP ≤ 5	37.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,2-dimethylpropoxy)benzonitrile;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-fluoro-4-(propan-2-yloxymethyl)piperidine;3-chloro-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yloxy-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1,3-dichloro-5-(2,2-dimethylpropoxy)benzene;1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(3R)-1-[(2,6-dichlorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]piperidine;4-(2,2-dimethylpropoxy)-1,2-dimethylbenzene;1-(propan-2-yloxymethyl)adamantane?

The IUPAC name of 5-chloro-2-(2,2-dimethylpropoxy)benzonitrile;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-fluoro-4-(propan-2-yloxymethyl)piperidine;3-chloro-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yloxy-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1,3-dichloro-5-(2,2-dimethylpropoxy)benzene;1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(3R)-1-[(2,6-dichlorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]piperidine;4-(2,2-dimethylpropoxy)-1,2-dimethylbenzene;1-(propan-2-yloxymethyl)adamantane (CID 158864262) is 5-chloro-2-(2,2-dimethylpropoxy)benzonitrile;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-fluoro-4-(propan-2-yloxymethyl)piperidine;3-chloro-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yloxy-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1,3-dichloro-5-(2,2-dimethylpropoxy)benzene;1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(3R)-1-[(2,6-dichlorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]piperidine;4-(2,2-dimethylpropoxy)-1,2-dimethylbenzene;1-(propan-2-yloxymethyl)adamantane.

What is the SMILES notation for 5-chloro-2-(2,2-dimethylpropoxy)benzonitrile;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-fluoro-4-(propan-2-yloxymethyl)piperidine;3-chloro-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yloxy-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1,3-dichloro-5-(2,2-dimethylpropoxy)benzene;1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(3R)-1-[(2,6-dichlorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]piperidine;4-(2,2-dimethylpropoxy)-1,2-dimethylbenzene;1-(propan-2-yloxymethyl)adamantane?

The canonical SMILES for 5-chloro-2-(2,2-dimethylpropoxy)benzonitrile;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-fluoro-4-(propan-2-yloxymethyl)piperidine;3-chloro-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yloxy-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1,3-dichloro-5-(2,2-dimethylpropoxy)benzene;1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(3R)-1-[(2,6-dichlorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]piperidine;4-(2,2-dimethylpropoxy)-1,2-dimethylbenzene;1-(propan-2-yloxymethyl)adamantane is CC(C)(C)COc1cc(Cl)cc(Cl)c1.CC(C)(C)COc1ccc(Cl)cc1C#N.CC(C)(C)O[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1.CC(C)OCC12CC3CC(CC(C3)C1)C2.CC(C)Oc1cnc(OCC(F)(F)C(F)F)c(Cl)c1.CC(C)Oc1ncc(OC(C)(C)C)cc1Cl.C[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC(COC(C)(C)C)CC1.Cc1cc(Cl)c(F)c(CN2CCC(F)(COC(C)C)CC2)c1.Cc1ccc(OCC(C)(C)C)cc1C.

What is the InChIKey of 5-chloro-2-(2,2-dimethylpropoxy)benzonitrile;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-fluoro-4-(propan-2-yloxymethyl)piperidine;3-chloro-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yloxy-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1,3-dichloro-5-(2,2-dimethylpropoxy)benzene;1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(3R)-1-[(2,6-dichlorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]piperidine;4-(2,2-dimethylpropoxy)-1,2-dimethylbenzene;1-(propan-2-yloxymethyl)adamantane?

The InChIKey is JBAMSQQQBIOTFI-IBZONEEUSA-N. The full InChI is InChI=1S/C18H27Cl2NO.C17H24ClF2NO.C16H23Cl2NO.C14H24O.C13H20O.C12H18ClNO2.C12H14ClNO.C11H14Cl2O.C11H12ClF4NO2/c1-13(15-9-16(19)11-17(20)10-15)21-7-5-14(6-8-21)12-22-18(2,3)4;1-12(2)22-11-17(20)4-6-21(7-5-17)10-14-8-13(3)9-15(18)16(14)19;1-16(2,3)20-12-6-5-9-19(10-12)11-13-14(17)7-4-8-15(13)18;1-10(2)15-9-14-6-11-3-12(7-14)5-13(4-11)8-14;1-10-6-7-12(8-11(10)2)14-9-13(3,4)5;1-8(2)15-11-10(13)6-9(7-14-11)16-12(3,4)5;1-12(2,3)8-15-11-5-4-10(13)6-9(11)7-14;1-11(2,3)7-14-10-5-8(12)4-9(13)6-10;1-6(2)19-7-3-8(12)9(17-4-7)18-5-11(15,16)10(13)14/h9-11,13-14H,5-8,12H2,1-4H3;8-9,12H,4-7,10-11H2,1-3H3;4,7-8,12H,5-6,9-11H2,1-3H3;10-13H,3-9H2,1-2H3;6-8H,9H2,1-5H3;6-8H,1-5H3;4-6H,8H2,1-3H3;4-6H,7H2,1-3H3;3-4,6,10H,5H2,1-2H3/t13-;;12-;;;;;;/m0.1....../s1.

What are the key properties of 5-chloro-2-(2,2-dimethylpropoxy)benzonitrile;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-fluoro-4-(propan-2-yloxymethyl)piperidine;3-chloro-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yloxy-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1,3-dichloro-5-(2,2-dimethylpropoxy)benzene;1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(3R)-1-[(2,6-dichlorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]piperidine;4-(2,2-dimethylpropoxy)-1,2-dimethylbenzene;1-(propan-2-yloxymethyl)adamantane?

5-chloro-2-(2,2-dimethylpropoxy)benzonitrile;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-fluoro-4-(propan-2-yloxymethyl)piperidine;3-chloro-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yloxy-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1,3-dichloro-5-(2,2-dimethylpropoxy)benzene;1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(3R)-1-[(2,6-dichlorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]piperidine;4-(2,2-dimethylpropoxy)-1,2-dimethylbenzene;1-(propan-2-yloxymethyl)adamantane has a molecular weight of 2395.32 g/mol, XLogP of 37.78, 30 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-(2,2-dimethylpropoxy)benzonitrile;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-fluoro-4-(propan-2-yloxymethyl)piperidine;3-chloro-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yloxy-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1,3-dichloro-5-(2,2-dimethylpropoxy)benzene;1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;(3R)-1-[(2,6-dichlorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]piperidine;4-(2,2-dimethylpropoxy)-1,2-dimethylbenzene;1-(propan-2-yloxymethyl)adamantane is sourced from PubChem (CID 158864262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).