3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;(2,2-dimethyl-1-phenylpropyl)benzene;2-(2,2-dimethyl-1-phenylpropyl)pyridine;ethane;1-isocyano-4-[(1S)-1-phenylethyl]benzene;1-isocyano-4-[(1R)-1-phenylethyl]benzene;2-[(1S)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene

C152H180Cl2F6N6O4 — CID 158583721

About 3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;(2,2-dimethyl-1-phenylpropyl)benzene;2-(2,2-dimethyl-1-phenylpropyl)pyridine;ethane;1-isocyano-4-[(1S)-1-phenylethyl]benzene;1-isocyano-4-[(1R)-1-phenylethyl]benzene;2-[(1S)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene

3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;(2,2-dimethyl-1-phenylpropyl)benzene;2-(2,2-dimethyl-1-phenylpropyl)pyridine;ethane;1-isocyano-4-[(1S)-1-phenylethyl]benzene;1-isocyano-4-[(1R)-1-phenylethyl]benzene;2-[(1S)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene (PubChem CID 158583721) has the molecular formula C152H180Cl2F6N6O4 and a molecular weight of 2340.04 g/mol. Its IUPAC name is 3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;(2,2-dimethyl-1-phenylpropyl)benzene;2-(2,2-dimethyl-1-phenylpropyl)pyridine;ethane;1-isocyano-4-[(1S)-1-phenylethyl]benzene;1-isocyano-4-[(1R)-1-phenylethyl]benzene;2-[(1S)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene.

Molecular Properties

• Compound Name: 3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;(2,2-dimethyl-1-phenylpropyl)benzene;2-(2,2-dimethyl-1-phenylpropyl)pyridine;ethane;1-isocyano-4-[(1S)-1-phenylethyl]benzene;1-isocyano-4-[(1R)-1-phenylethyl]benzene;2-[(1S)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene
• PubChem CID: 158583721
• Molecular Formula: C152H180Cl2F6N6O4
• Molecular Weight: 2340.04 g/mol
• Exact Mass: 2337.33
• IUPAC Name: 3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;(2,2-dimethyl-1-phenylpropyl)benzene;2-(2,2-dimethyl-1-phenylpropyl)pyridine;ethane;1-isocyano-4-[(1S)-1-phenylethyl]benzene;1-isocyano-4-[(1R)-1-phenylethyl]benzene;2-[(1S)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene
• SMILES: CC.CC.CC.CC.CC.CC.CC(C)(C)C(c1ccccc1)c1ccccc1.CC(C)(C)C(c1ccccc1)c1ccccn1.CC(C)Oc1ncc([C@@H](C)c2ccccc2)cc1Cl.CC(C)Oc1ncc([C@@H](c2ccccc2)C(C)C)cc1Cl.C[C@@H](c1ccccc1)c1ccc(OC(F)(F)F)cc1.C[C@@H](c1ccccc1)c1ccccn1.C[C@H](c1ccccc1)c1ccc(OC(F)(F)F)cc1.[C-]#[N+]c1ccc([C@@H](C)c2ccccc2)cc1.[C-]#[N+]c1ccc([C@H](C)c2ccccc2)cc1
• InChI: InChI=1S/C18H22ClNO.C17H20.C16H18ClNO.C16H19N.2C15H13F3O.2C15H13N.C13H13N.6C2H6/c1-12(2)17(14-8-6-5-7-9-14)15-10-16(19)18(20-11-15)21-13(3)4;1-17(2,3)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-11(2)19-16-15(17)9-14(10-18-16)12(3)13-7-5-4-6-8-13;1-16(2,3)15(13-9-5-4-6-10-13)14-11-7-8-12-17-14;2*1-11(12-5-3-2-4-6-12)13-7-9-14(10-8-13)19-15(16,17)18;2*1-12(13-6-4-3-5-7-13)14-8-10-15(16-2)11-9-14;1-11(12-7-3-2-4-8-12)13-9-5-6-10-14-13;6*1-2/h5-13,17H,1-4H3;4-13,16H,1-3H3;4-12H,1-3H3;4-12,15H,1-3H3;2*2-11H,1H3;2*3-12H,1H3;2-11H,1H3;6*1-2H3/t17-;;12-;;2*11-;2*12-;11-;;;;;;/m1.0.10100....../s1
• InChIKey: HTOJOBPVCOSXOG-LVUMZDLBSA-N
• XLogP: 46.75
• TPSA: 97.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 25
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2340.04
LogP ≤ 5	46.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;(2,2-dimethyl-1-phenylpropyl)benzene;2-(2,2-dimethyl-1-phenylpropyl)pyridine;ethane;1-isocyano-4-[(1S)-1-phenylethyl]benzene;1-isocyano-4-[(1R)-1-phenylethyl]benzene;2-[(1S)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene?

The IUPAC name of 3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;(2,2-dimethyl-1-phenylpropyl)benzene;2-(2,2-dimethyl-1-phenylpropyl)pyridine;ethane;1-isocyano-4-[(1S)-1-phenylethyl]benzene;1-isocyano-4-[(1R)-1-phenylethyl]benzene;2-[(1S)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene (CID 158583721) is 3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;(2,2-dimethyl-1-phenylpropyl)benzene;2-(2,2-dimethyl-1-phenylpropyl)pyridine;ethane;1-isocyano-4-[(1S)-1-phenylethyl]benzene;1-isocyano-4-[(1R)-1-phenylethyl]benzene;2-[(1S)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene.

What is the SMILES notation for 3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;(2,2-dimethyl-1-phenylpropyl)benzene;2-(2,2-dimethyl-1-phenylpropyl)pyridine;ethane;1-isocyano-4-[(1S)-1-phenylethyl]benzene;1-isocyano-4-[(1R)-1-phenylethyl]benzene;2-[(1S)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene?

The canonical SMILES for 3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;(2,2-dimethyl-1-phenylpropyl)benzene;2-(2,2-dimethyl-1-phenylpropyl)pyridine;ethane;1-isocyano-4-[(1S)-1-phenylethyl]benzene;1-isocyano-4-[(1R)-1-phenylethyl]benzene;2-[(1S)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene is CC.CC.CC.CC.CC.CC.CC(C)(C)C(c1ccccc1)c1ccccc1.CC(C)(C)C(c1ccccc1)c1ccccn1.CC(C)Oc1ncc([C@@H](C)c2ccccc2)cc1Cl.CC(C)Oc1ncc([C@@H](c2ccccc2)C(C)C)cc1Cl.C[C@@H](c1ccccc1)c1ccc(OC(F)(F)F)cc1.C[C@@H](c1ccccc1)c1ccccn1.C[C@H](c1ccccc1)c1ccc(OC(F)(F)F)cc1.[C-]#[N+]c1ccc([C@@H](C)c2ccccc2)cc1.[C-]#[N+]c1ccc([C@H](C)c2ccccc2)cc1.

What is the InChIKey of 3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;(2,2-dimethyl-1-phenylpropyl)benzene;2-(2,2-dimethyl-1-phenylpropyl)pyridine;ethane;1-isocyano-4-[(1S)-1-phenylethyl]benzene;1-isocyano-4-[(1R)-1-phenylethyl]benzene;2-[(1S)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene?

The InChIKey is HTOJOBPVCOSXOG-LVUMZDLBSA-N. The full InChI is InChI=1S/C18H22ClNO.C17H20.C16H18ClNO.C16H19N.2C15H13F3O.2C15H13N.C13H13N.6C2H6/c1-12(2)17(14-8-6-5-7-9-14)15-10-16(19)18(20-11-15)21-13(3)4;1-17(2,3)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-11(2)19-16-15(17)9-14(10-18-16)12(3)13-7-5-4-6-8-13;1-16(2,3)15(13-9-5-4-6-10-13)14-11-7-8-12-17-14;2*1-11(12-5-3-2-4-6-12)13-7-9-14(10-8-13)19-15(16,17)18;2*1-12(13-6-4-3-5-7-13)14-8-10-15(16-2)11-9-14;1-11(12-7-3-2-4-8-12)13-9-5-6-10-14-13;6*1-2/h5-13,17H,1-4H3;4-13,16H,1-3H3;4-12H,1-3H3;4-12,15H,1-3H3;2*2-11H,1H3;2*3-12H,1H3;2-11H,1H3;6*1-2H3/t17-;;12-;;2*11-;2*12-;11-;;;;;;/m1.0.10100....../s1.

What are the key properties of 3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;(2,2-dimethyl-1-phenylpropyl)benzene;2-(2,2-dimethyl-1-phenylpropyl)pyridine;ethane;1-isocyano-4-[(1S)-1-phenylethyl]benzene;1-isocyano-4-[(1R)-1-phenylethyl]benzene;2-[(1S)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene?

3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;(2,2-dimethyl-1-phenylpropyl)benzene;2-(2,2-dimethyl-1-phenylpropyl)pyridine;ethane;1-isocyano-4-[(1S)-1-phenylethyl]benzene;1-isocyano-4-[(1R)-1-phenylethyl]benzene;2-[(1S)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene has a molecular weight of 2340.04 g/mol, XLogP of 46.75, 25 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-5-[(1R)-2-methyl-1-phenylpropyl]-2-propan-2-yloxypyridine;3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine;(2,2-dimethyl-1-phenylpropyl)benzene;2-(2,2-dimethyl-1-phenylpropyl)pyridine;ethane;1-isocyano-4-[(1S)-1-phenylethyl]benzene;1-isocyano-4-[(1R)-1-phenylethyl]benzene;2-[(1S)-1-phenylethyl]pyridine;1-[(1S)-1-phenylethyl]-4-(trifluoromethoxy)benzene;1-[(1R)-1-phenylethyl]-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 158583721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).