2-chloro-1-methoxy-4-methylbenzene;2-chloro-5-methylthiophene;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-fluoro-5-methylpyridine;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methyl-2,3-dihydro-1,4-benzodioxine;2-methylfuran;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;1-methyl-3-propan-2-yloxybenzene;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine

C206H236Cl2F2N18O17S3 — CID 160732584

About 2-chloro-1-methoxy-4-methylbenzene;2-chloro-5-methylthiophene;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-fluoro-5-methylpyridine;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methyl-2,3-dihydro-1,4-benzodioxine;2-methylfuran;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;1-methyl-3-propan-2-yloxybenzene;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine

2-chloro-1-methoxy-4-methylbenzene;2-chloro-5-methylthiophene;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-fluoro-5-methylpyridine;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methyl-2,3-dihydro-1,4-benzodioxine;2-methylfuran;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;1-methyl-3-propan-2-yloxybenzene;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine (PubChem CID 160732584) has the molecular formula C206H236Cl2F2N18O17S3 and a molecular weight of 3441.37 g/mol. Its IUPAC name is 2-chloro-1-methoxy-4-methylbenzene;2-chloro-5-methylthiophene;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-fluoro-5-methylpyridine;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methyl-2,3-dihydro-1,4-benzodioxine;2-methylfuran;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;1-methyl-3-propan-2-yloxybenzene;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine.

Molecular Properties

• Compound Name: 2-chloro-1-methoxy-4-methylbenzene;2-chloro-5-methylthiophene;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-fluoro-5-methylpyridine;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methyl-2,3-dihydro-1,4-benzodioxine;2-methylfuran;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;1-methyl-3-propan-2-yloxybenzene;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine
• PubChem CID: 160732584
• Molecular Formula: C206H236Cl2F2N18O17S3
• Molecular Weight: 3441.37 g/mol
• Exact Mass: 3437.67
• IUPAC Name: 2-chloro-1-methoxy-4-methylbenzene;2-chloro-5-methylthiophene;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-fluoro-5-methylpyridine;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methyl-2,3-dihydro-1,4-benzodioxine;2-methylfuran;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;1-methyl-3-propan-2-yloxybenzene;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine
• SMILES: COCc1cccc(C)c1.COc1ccc(C)cc1Cl.COc1ccc2cc(C)ccc2c1.COc1ncc(C)c(OC)n1.COc1ncc(C)cn1.Cc1cc2ccccc2s1.Cc1ccc(Cl)s1.Cc1ccc(F)nc1.Cc1ccc(N2CCOCC2)nc1.Cc1ccc(OC(C)C)c(F)c1.Cc1ccc(Oc2ccccc2)cc1.Cc1ccc2c(C)n(C)nc2c1.Cc1ccc2c(C)nn(C)c2c1.Cc1ccc2c(c1)OCCCO2.Cc1ccc2c(c1)OCCO2.Cc1ccc2cc(O)ccc2c1.Cc1cccc(OC(C)C)c1.Cc1cccc2c1oc1ccccc12.Cc1ccco1.Cc1ccnc(C)c1.Cc1cncnc1.Cc1cnn(C)c1.Cc1csc2ccccc12.Cc1ncc(C)c(C)n1
• InChI: InChI=1S/C13H10O.C13H12O.C12H12O.C11H10O.C10H13FO.C10H14N2O.2C10H12N2.C10H12O2.C10H14O.C9H10O2.C9H12O.2C9H8S.C8H9ClO.C7H10N2O2.C7H10N2.C7H9N.C6H6FN.C6H8N2O.C5H5ClS.C5H8N2.C5H6N2.C5H6O/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12;1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-7(2)12-10-5-4-8(3)6-9(10)11;1-9-2-3-10(11-8-9)12-4-6-13-7-5-12;1-7-4-5-9-8(2)12(3)11-10(9)6-7;1-7-4-5-9-8(2)11-12(3)10(9)6-7;1-8-3-4-9-10(7-8)12-6-2-5-11-9;1-8(2)11-10-6-4-5-9(3)7-10;1-7-2-3-8-9(6-7)11-5-4-10-8;1-8-4-3-5-9(6-8)7-10-2;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-6-3-4-8(10-2)7(9)5-6;1-5-4-8-7(11-3)9-6(5)10-2;1-5-4-8-7(3)9-6(5)2;1-6-3-4-8-7(2)5-6;1-5-2-3-6(7)8-4-5;1-5-3-7-6(9-2)8-4-5;1-4-2-3-5(6)7-4;1-5-3-6-7(2)4-5;1-5-2-6-4-7-3-5;1-5-3-2-4-6-5/h2-8H,1H3;2-10H,1H3;3-8H,1-2H3;2-7,12H,1H3;4-7H,1-3H3;2-3,8H,4-7H2,1H3;2*4-6H,1-3H3;3-4,7H,2,5-6H2,1H3;4-8H,1-3H3;2-3,6H,4-5H2,1H3;3-6H,7H2,1-2H3;2*2-6H,1H3;3-5H,1-2H3;4H,1-3H3;4H,1-3H3;3-5H,1-2H3;2-4H,1H3;3-4H,1-2H3;2-3H,1H3;3-4H,1-2H3;2-4H,1H3;2-4H,1H3
• InChIKey: RUNQZZBYGGNWDE-UHFFFAOYSA-N
• XLogP: 52.18
• TPSA: 374.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 38
• Rotatable Bonds: 14
• Heavy Atoms: 248
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3441.37
LogP ≤ 5	52.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methoxy-4-methylbenzene;2-chloro-5-methylthiophene;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-fluoro-5-methylpyridine;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methyl-2,3-dihydro-1,4-benzodioxine;2-methylfuran;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;1-methyl-3-propan-2-yloxybenzene;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine?

The IUPAC name of 2-chloro-1-methoxy-4-methylbenzene;2-chloro-5-methylthiophene;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-fluoro-5-methylpyridine;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methyl-2,3-dihydro-1,4-benzodioxine;2-methylfuran;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;1-methyl-3-propan-2-yloxybenzene;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine (CID 160732584) is 2-chloro-1-methoxy-4-methylbenzene;2-chloro-5-methylthiophene;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-fluoro-5-methylpyridine;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methyl-2,3-dihydro-1,4-benzodioxine;2-methylfuran;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;1-methyl-3-propan-2-yloxybenzene;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine.

What is the SMILES notation for 2-chloro-1-methoxy-4-methylbenzene;2-chloro-5-methylthiophene;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-fluoro-5-methylpyridine;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methyl-2,3-dihydro-1,4-benzodioxine;2-methylfuran;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;1-methyl-3-propan-2-yloxybenzene;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine?

The canonical SMILES for 2-chloro-1-methoxy-4-methylbenzene;2-chloro-5-methylthiophene;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-fluoro-5-methylpyridine;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methyl-2,3-dihydro-1,4-benzodioxine;2-methylfuran;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;1-methyl-3-propan-2-yloxybenzene;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine is COCc1cccc(C)c1.COc1ccc(C)cc1Cl.COc1ccc2cc(C)ccc2c1.COc1ncc(C)c(OC)n1.COc1ncc(C)cn1.Cc1cc2ccccc2s1.Cc1ccc(Cl)s1.Cc1ccc(F)nc1.Cc1ccc(N2CCOCC2)nc1.Cc1ccc(OC(C)C)c(F)c1.Cc1ccc(Oc2ccccc2)cc1.Cc1ccc2c(C)n(C)nc2c1.Cc1ccc2c(C)nn(C)c2c1.Cc1ccc2c(c1)OCCCO2.Cc1ccc2c(c1)OCCO2.Cc1ccc2cc(O)ccc2c1.Cc1cccc(OC(C)C)c1.Cc1cccc2c1oc1ccccc12.Cc1ccco1.Cc1ccnc(C)c1.Cc1cncnc1.Cc1cnn(C)c1.Cc1csc2ccccc12.Cc1ncc(C)c(C)n1.

What is the InChIKey of 2-chloro-1-methoxy-4-methylbenzene;2-chloro-5-methylthiophene;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-fluoro-5-methylpyridine;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methyl-2,3-dihydro-1,4-benzodioxine;2-methylfuran;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;1-methyl-3-propan-2-yloxybenzene;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine?

The InChIKey is RUNQZZBYGGNWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C13H12O.C12H12O.C11H10O.C10H13FO.C10H14N2O.2C10H12N2.C10H12O2.C10H14O.C9H10O2.C9H12O.2C9H8S.C8H9ClO.C7H10N2O2.C7H10N2.C7H9N.C6H6FN.C6H8N2O.C5H5ClS.C5H8N2.C5H6N2.C5H6O/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12;1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-7(2)12-10-5-4-8(3)6-9(10)11;1-9-2-3-10(11-8-9)12-4-6-13-7-5-12;1-7-4-5-9-8(2)12(3)11-10(9)6-7;1-7-4-5-9-8(2)11-12(3)10(9)6-7;1-8-3-4-9-10(7-8)12-6-2-5-11-9;1-8(2)11-10-6-4-5-9(3)7-10;1-7-2-3-8-9(6-7)11-5-4-10-8;1-8-4-3-5-9(6-8)7-10-2;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-6-3-4-8(10-2)7(9)5-6;1-5-4-8-7(11-3)9-6(5)10-2;1-5-4-8-7(3)9-6(5)2;1-6-3-4-8-7(2)5-6;1-5-2-3-6(7)8-4-5;1-5-3-7-6(9-2)8-4-5;1-4-2-3-5(6)7-4;1-5-3-6-7(2)4-5;1-5-2-6-4-7-3-5;1-5-3-2-4-6-5/h2-8H,1H3;2-10H,1H3;3-8H,1-2H3;2-7,12H,1H3;4-7H,1-3H3;2-3,8H,4-7H2,1H3;2*4-6H,1-3H3;3-4,7H,2,5-6H2,1H3;4-8H,1-3H3;2-3,6H,4-5H2,1H3;3-6H,7H2,1-2H3;2*2-6H,1H3;3-5H,1-2H3;4H,1-3H3;4H,1-3H3;3-5H,1-2H3;2-4H,1H3;3-4H,1-2H3;2-3H,1H3;3-4H,1-2H3;2-4H,1H3;2-4H,1H3.

What are the key properties of 2-chloro-1-methoxy-4-methylbenzene;2-chloro-5-methylthiophene;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-fluoro-5-methylpyridine;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methyl-2,3-dihydro-1,4-benzodioxine;2-methylfuran;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;1-methyl-3-propan-2-yloxybenzene;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine?

2-chloro-1-methoxy-4-methylbenzene;2-chloro-5-methylthiophene;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-fluoro-5-methylpyridine;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methyl-2,3-dihydro-1,4-benzodioxine;2-methylfuran;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;1-methyl-3-propan-2-yloxybenzene;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine has a molecular weight of 3441.37 g/mol, XLogP of 52.18, 14 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1-methoxy-4-methylbenzene;2-chloro-5-methylthiophene;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-fluoro-5-methylpyridine;1-(methoxymethyl)-3-methylbenzene;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methyl-2,3-dihydro-1,4-benzodioxine;2-methylfuran;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;1-methyl-3-propan-2-yloxybenzene;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine is sourced from PubChem (CID 160732584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).