1-chloro-3,5-dimethylbenzene;2-chloro-4,6-dimethylphenol;bis(2-chloro-4,6-dimethylpyridine);2-cyclopropyl-4-methyl-6-(trifluoromethyl)pyridine;bis(2,4-dimethylphenol);2,4-dimethyl-6-propan-2-ylpyridine;2-ethyl-4,6-dimethylpyridine;1-fluoro-2,4-dimethylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-4,6-dimethylpyridine;2-methoxy-4-methylpyridine;5-methyl-1H-indazole;4-methyloxane;4-methylpiperidine;2,4,6-trimethyl-3,6-dihydro-2H-pyran;2,4,6-trimethyloxane;bis(2,4,6-trimethylpyridine)

C159H218Cl4F4N12O9 — CID 162195662

About 1-chloro-3,5-dimethylbenzene;2-chloro-4,6-dimethylphenol;bis(2-chloro-4,6-dimethylpyridine);2-cyclopropyl-4-methyl-6-(trifluoromethyl)pyridine;bis(2,4-dimethylphenol);2,4-dimethyl-6-propan-2-ylpyridine;2-ethyl-4,6-dimethylpyridine;1-fluoro-2,4-dimethylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-4,6-dimethylpyridine;2-methoxy-4-methylpyridine;5-methyl-1H-indazole;4-methyloxane;4-methylpiperidine;2,4,6-trimethyl-3,6-dihydro-2H-pyran;2,4,6-trimethyloxane;bis(2,4,6-trimethylpyridine)

1-chloro-3,5-dimethylbenzene;2-chloro-4,6-dimethylphenol;bis(2-chloro-4,6-dimethylpyridine);2-cyclopropyl-4-methyl-6-(trifluoromethyl)pyridine;bis(2,4-dimethylphenol);2,4-dimethyl-6-propan-2-ylpyridine;2-ethyl-4,6-dimethylpyridine;1-fluoro-2,4-dimethylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-4,6-dimethylpyridine;2-methoxy-4-methylpyridine;5-methyl-1H-indazole;4-methyloxane;4-methylpiperidine;2,4,6-trimethyl-3,6-dihydro-2H-pyran;2,4,6-trimethyloxane;bis(2,4,6-trimethylpyridine) (PubChem CID 162195662) has the molecular formula C159H218Cl4F4N12O9 and a molecular weight of 2659.37 g/mol. Its IUPAC name is 1-chloro-3,5-dimethylbenzene;2-chloro-4,6-dimethylphenol;bis(2-chloro-4,6-dimethylpyridine);2-cyclopropyl-4-methyl-6-(trifluoromethyl)pyridine;bis(2,4-dimethylphenol);2,4-dimethyl-6-propan-2-ylpyridine;2-ethyl-4,6-dimethylpyridine;1-fluoro-2,4-dimethylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-4,6-dimethylpyridine;2-methoxy-4-methylpyridine;5-methyl-1H-indazole;4-methyloxane;4-methylpiperidine;2,4,6-trimethyl-3,6-dihydro-2H-pyran;2,4,6-trimethyloxane;bis(2,4,6-trimethylpyridine).

Molecular Properties

• Compound Name: 1-chloro-3,5-dimethylbenzene;2-chloro-4,6-dimethylphenol;bis(2-chloro-4,6-dimethylpyridine);2-cyclopropyl-4-methyl-6-(trifluoromethyl)pyridine;bis(2,4-dimethylphenol);2,4-dimethyl-6-propan-2-ylpyridine;2-ethyl-4,6-dimethylpyridine;1-fluoro-2,4-dimethylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-4,6-dimethylpyridine;2-methoxy-4-methylpyridine;5-methyl-1H-indazole;4-methyloxane;4-methylpiperidine;2,4,6-trimethyl-3,6-dihydro-2H-pyran;2,4,6-trimethyloxane;bis(2,4,6-trimethylpyridine)
• PubChem CID: 162195662
• Molecular Formula: C159H218Cl4F4N12O9
• Molecular Weight: 2659.37 g/mol
• Exact Mass: 2655.57
• IUPAC Name: 1-chloro-3,5-dimethylbenzene;2-chloro-4,6-dimethylphenol;bis(2-chloro-4,6-dimethylpyridine);2-cyclopropyl-4-methyl-6-(trifluoromethyl)pyridine;bis(2,4-dimethylphenol);2,4-dimethyl-6-propan-2-ylpyridine;2-ethyl-4,6-dimethylpyridine;1-fluoro-2,4-dimethylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-4,6-dimethylpyridine;2-methoxy-4-methylpyridine;5-methyl-1H-indazole;4-methyloxane;4-methylpiperidine;2,4,6-trimethyl-3,6-dihydro-2H-pyran;2,4,6-trimethyloxane;bis(2,4,6-trimethylpyridine)
• SMILES: CC1=CC(C)OC(C)C1.CC1CC(C)OC(C)C1.CC1CCNCC1.CC1CCOCC1.CCc1cc(C)cc(C)n1.COc1cc(C)cc(C)n1.COc1cc(C)ccn1.COc1ccc(C)cc1C.Cc1cc(C)c(O)c(Cl)c1.Cc1cc(C)cc(Cl)c1.Cc1cc(C)nc(C(C)C)c1.Cc1cc(C)nc(C)c1.Cc1cc(C)nc(C)c1.Cc1cc(C)nc(Cl)c1.Cc1cc(C)nc(Cl)c1.Cc1cc(C2CC2)nc(C(F)(F)F)c1.Cc1ccc(F)c(C)c1.Cc1ccc(O)c(C)c1.Cc1ccc(O)c(C)c1.Cc1ccc2[nH]ncc2c1
• InChI: InChI=1S/C10H10F3N.C10H15N.C9H13N.C9H12O.C8H9ClO.C8H9Cl.C8H9F.C8H8N2.C8H11NO.2C8H11N.C8H16O.C8H14O.2C8H10O.2C7H8ClN.C7H9NO.C6H13N.C6H12O/c1-6-4-8(7-2-3-7)14-9(5-6)10(11,12)13;1-7(2)10-6-8(3)5-9(4)11-10;1-4-9-6-7(2)5-8(3)10-9;1-7-4-5-9(10-3)8(2)6-7;1-5-3-6(2)8(10)7(9)4-5;1-6-3-7(2)5-8(9)4-6;1-6-3-4-8(9)7(2)5-6;1-6-2-3-8-7(4-6)5-9-10-8;1-6-4-7(2)9-8(5-6)10-3;4*1-6-4-7(2)9-8(3)5-6;2*1-6-3-4-8(9)7(2)5-6;2*1-5-3-6(2)9-7(8)4-5;1-6-3-4-8-7(5-6)9-2;2*1-6-2-4-7-5-3-6/h4-5,7H,2-3H2,1H3;5-7H,1-4H3;5-6H,4H2,1-3H3;4-6H,1-3H3;3-4,10H,1-2H3;2*3-5H,1-2H3;2-5H,1H3,(H,9,10);4-5H,1-3H3;2*4-5H,1-3H3;6-8H,4-5H2,1-3H3;4,7-8H,5H2,1-3H3;2*3-5,9H,1-2H3;2*3-4H,1-2H3;3-5H,1-2H3;6-7H,2-5H2,1H3;6H,2-5H2,1H3
• InChIKey: ZQXAZCGAEHFEPI-UHFFFAOYSA-N
• XLogP: 43.23
• TPSA: 272.79 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 6
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2659.37
LogP ≤ 5	43.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3,5-dimethylbenzene;2-chloro-4,6-dimethylphenol;bis(2-chloro-4,6-dimethylpyridine);2-cyclopropyl-4-methyl-6-(trifluoromethyl)pyridine;bis(2,4-dimethylphenol);2,4-dimethyl-6-propan-2-ylpyridine;2-ethyl-4,6-dimethylpyridine;1-fluoro-2,4-dimethylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-4,6-dimethylpyridine;2-methoxy-4-methylpyridine;5-methyl-1H-indazole;4-methyloxane;4-methylpiperidine;2,4,6-trimethyl-3,6-dihydro-2H-pyran;2,4,6-trimethyloxane;bis(2,4,6-trimethylpyridine)?

The IUPAC name of 1-chloro-3,5-dimethylbenzene;2-chloro-4,6-dimethylphenol;bis(2-chloro-4,6-dimethylpyridine);2-cyclopropyl-4-methyl-6-(trifluoromethyl)pyridine;bis(2,4-dimethylphenol);2,4-dimethyl-6-propan-2-ylpyridine;2-ethyl-4,6-dimethylpyridine;1-fluoro-2,4-dimethylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-4,6-dimethylpyridine;2-methoxy-4-methylpyridine;5-methyl-1H-indazole;4-methyloxane;4-methylpiperidine;2,4,6-trimethyl-3,6-dihydro-2H-pyran;2,4,6-trimethyloxane;bis(2,4,6-trimethylpyridine) (CID 162195662) is 1-chloro-3,5-dimethylbenzene;2-chloro-4,6-dimethylphenol;bis(2-chloro-4,6-dimethylpyridine);2-cyclopropyl-4-methyl-6-(trifluoromethyl)pyridine;bis(2,4-dimethylphenol);2,4-dimethyl-6-propan-2-ylpyridine;2-ethyl-4,6-dimethylpyridine;1-fluoro-2,4-dimethylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-4,6-dimethylpyridine;2-methoxy-4-methylpyridine;5-methyl-1H-indazole;4-methyloxane;4-methylpiperidine;2,4,6-trimethyl-3,6-dihydro-2H-pyran;2,4,6-trimethyloxane;bis(2,4,6-trimethylpyridine).

What is the SMILES notation for 1-chloro-3,5-dimethylbenzene;2-chloro-4,6-dimethylphenol;bis(2-chloro-4,6-dimethylpyridine);2-cyclopropyl-4-methyl-6-(trifluoromethyl)pyridine;bis(2,4-dimethylphenol);2,4-dimethyl-6-propan-2-ylpyridine;2-ethyl-4,6-dimethylpyridine;1-fluoro-2,4-dimethylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-4,6-dimethylpyridine;2-methoxy-4-methylpyridine;5-methyl-1H-indazole;4-methyloxane;4-methylpiperidine;2,4,6-trimethyl-3,6-dihydro-2H-pyran;2,4,6-trimethyloxane;bis(2,4,6-trimethylpyridine)?

The canonical SMILES for 1-chloro-3,5-dimethylbenzene;2-chloro-4,6-dimethylphenol;bis(2-chloro-4,6-dimethylpyridine);2-cyclopropyl-4-methyl-6-(trifluoromethyl)pyridine;bis(2,4-dimethylphenol);2,4-dimethyl-6-propan-2-ylpyridine;2-ethyl-4,6-dimethylpyridine;1-fluoro-2,4-dimethylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-4,6-dimethylpyridine;2-methoxy-4-methylpyridine;5-methyl-1H-indazole;4-methyloxane;4-methylpiperidine;2,4,6-trimethyl-3,6-dihydro-2H-pyran;2,4,6-trimethyloxane;bis(2,4,6-trimethylpyridine) is CC1=CC(C)OC(C)C1.CC1CC(C)OC(C)C1.CC1CCNCC1.CC1CCOCC1.CCc1cc(C)cc(C)n1.COc1cc(C)cc(C)n1.COc1cc(C)ccn1.COc1ccc(C)cc1C.Cc1cc(C)c(O)c(Cl)c1.Cc1cc(C)cc(Cl)c1.Cc1cc(C)nc(C(C)C)c1.Cc1cc(C)nc(C)c1.Cc1cc(C)nc(C)c1.Cc1cc(C)nc(Cl)c1.Cc1cc(C)nc(Cl)c1.Cc1cc(C2CC2)nc(C(F)(F)F)c1.Cc1ccc(F)c(C)c1.Cc1ccc(O)c(C)c1.Cc1ccc(O)c(C)c1.Cc1ccc2[nH]ncc2c1.

What is the InChIKey of 1-chloro-3,5-dimethylbenzene;2-chloro-4,6-dimethylphenol;bis(2-chloro-4,6-dimethylpyridine);2-cyclopropyl-4-methyl-6-(trifluoromethyl)pyridine;bis(2,4-dimethylphenol);2,4-dimethyl-6-propan-2-ylpyridine;2-ethyl-4,6-dimethylpyridine;1-fluoro-2,4-dimethylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-4,6-dimethylpyridine;2-methoxy-4-methylpyridine;5-methyl-1H-indazole;4-methyloxane;4-methylpiperidine;2,4,6-trimethyl-3,6-dihydro-2H-pyran;2,4,6-trimethyloxane;bis(2,4,6-trimethylpyridine)?

The InChIKey is ZQXAZCGAEHFEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N.C10H15N.C9H13N.C9H12O.C8H9ClO.C8H9Cl.C8H9F.C8H8N2.C8H11NO.2C8H11N.C8H16O.C8H14O.2C8H10O.2C7H8ClN.C7H9NO.C6H13N.C6H12O/c1-6-4-8(7-2-3-7)14-9(5-6)10(11,12)13;1-7(2)10-6-8(3)5-9(4)11-10;1-4-9-6-7(2)5-8(3)10-9;1-7-4-5-9(10-3)8(2)6-7;1-5-3-6(2)8(10)7(9)4-5;1-6-3-7(2)5-8(9)4-6;1-6-3-4-8(9)7(2)5-6;1-6-2-3-8-7(4-6)5-9-10-8;1-6-4-7(2)9-8(5-6)10-3;4*1-6-4-7(2)9-8(3)5-6;2*1-6-3-4-8(9)7(2)5-6;2*1-5-3-6(2)9-7(8)4-5;1-6-3-4-8-7(5-6)9-2;2*1-6-2-4-7-5-3-6/h4-5,7H,2-3H2,1H3;5-7H,1-4H3;5-6H,4H2,1-3H3;4-6H,1-3H3;3-4,10H,1-2H3;2*3-5H,1-2H3;2-5H,1H3,(H,9,10);4-5H,1-3H3;2*4-5H,1-3H3;6-8H,4-5H2,1-3H3;4,7-8H,5H2,1-3H3;2*3-5,9H,1-2H3;2*3-4H,1-2H3;3-5H,1-2H3;6-7H,2-5H2,1H3;6H,2-5H2,1H3.

What are the key properties of 1-chloro-3,5-dimethylbenzene;2-chloro-4,6-dimethylphenol;bis(2-chloro-4,6-dimethylpyridine);2-cyclopropyl-4-methyl-6-(trifluoromethyl)pyridine;bis(2,4-dimethylphenol);2,4-dimethyl-6-propan-2-ylpyridine;2-ethyl-4,6-dimethylpyridine;1-fluoro-2,4-dimethylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-4,6-dimethylpyridine;2-methoxy-4-methylpyridine;5-methyl-1H-indazole;4-methyloxane;4-methylpiperidine;2,4,6-trimethyl-3,6-dihydro-2H-pyran;2,4,6-trimethyloxane;bis(2,4,6-trimethylpyridine)?

1-chloro-3,5-dimethylbenzene;2-chloro-4,6-dimethylphenol;bis(2-chloro-4,6-dimethylpyridine);2-cyclopropyl-4-methyl-6-(trifluoromethyl)pyridine;bis(2,4-dimethylphenol);2,4-dimethyl-6-propan-2-ylpyridine;2-ethyl-4,6-dimethylpyridine;1-fluoro-2,4-dimethylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-4,6-dimethylpyridine;2-methoxy-4-methylpyridine;5-methyl-1H-indazole;4-methyloxane;4-methylpiperidine;2,4,6-trimethyl-3,6-dihydro-2H-pyran;2,4,6-trimethyloxane;bis(2,4,6-trimethylpyridine) has a molecular weight of 2659.37 g/mol, XLogP of 43.23, 6 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-3,5-dimethylbenzene;2-chloro-4,6-dimethylphenol;bis(2-chloro-4,6-dimethylpyridine);2-cyclopropyl-4-methyl-6-(trifluoromethyl)pyridine;bis(2,4-dimethylphenol);2,4-dimethyl-6-propan-2-ylpyridine;2-ethyl-4,6-dimethylpyridine;1-fluoro-2,4-dimethylbenzene;1-methoxy-2,4-dimethylbenzene;2-methoxy-4,6-dimethylpyridine;2-methoxy-4-methylpyridine;5-methyl-1H-indazole;4-methyloxane;4-methylpiperidine;2,4,6-trimethyl-3,6-dihydro-2H-pyran;2,4,6-trimethyloxane;bis(2,4,6-trimethylpyridine) is sourced from PubChem (CID 162195662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).