1,3-difluoro-5-methylbenzene;1-ethoxy-3-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;1-methyl-4-phenylbenzene;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperazine;4-(4-methylphenyl)pyridine;bis(5-methyl-2-phenylpyridine);2-(4-methylphenyl)thieno[3,2-c]pyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,3-xylene

C193H205F8N9O8S3 — CID 158561358

About 1,3-difluoro-5-methylbenzene;1-ethoxy-3-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;1-methyl-4-phenylbenzene;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperazine;4-(4-methylphenyl)pyridine;bis(5-methyl-2-phenylpyridine);2-(4-methylphenyl)thieno[3,2-c]pyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,3-xylene

1,3-difluoro-5-methylbenzene;1-ethoxy-3-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;1-methyl-4-phenylbenzene;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperazine;4-(4-methylphenyl)pyridine;bis(5-methyl-2-phenylpyridine);2-(4-methylphenyl)thieno[3,2-c]pyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,3-xylene (PubChem CID 158561358) has the molecular formula C193H205F8N9O8S3 and a molecular weight of 3027.00 g/mol. Its IUPAC name is 1,3-difluoro-5-methylbenzene;1-ethoxy-3-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;1-methyl-4-phenylbenzene;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperazine;4-(4-methylphenyl)pyridine;bis(5-methyl-2-phenylpyridine);2-(4-methylphenyl)thieno[3,2-c]pyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,3-xylene.

Molecular Properties

• Compound Name: 1,3-difluoro-5-methylbenzene;1-ethoxy-3-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;1-methyl-4-phenylbenzene;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperazine;4-(4-methylphenyl)pyridine;bis(5-methyl-2-phenylpyridine);2-(4-methylphenyl)thieno[3,2-c]pyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,3-xylene
• PubChem CID: 158561358
• Molecular Formula: C193H205F8N9O8S3
• Molecular Weight: 3027.00 g/mol
• Exact Mass: 3024.49
• IUPAC Name: 1,3-difluoro-5-methylbenzene;1-ethoxy-3-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;1-methyl-4-phenylbenzene;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperazine;4-(4-methylphenyl)pyridine;bis(5-methyl-2-phenylpyridine);2-(4-methylphenyl)thieno[3,2-c]pyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,3-xylene
• SMILES: CCOc1cccc(C)c1.COc1ccc(C)cc1.COc1ccc(C)cn1.COc1cccc(C)c1.Cc1cc(F)cc(F)c1.Cc1cc2ccccc2s1.Cc1ccc(-c2cc3cnccc3s2)cc1.Cc1ccc(-c2ccccc2)cc1.Cc1ccc(-c2ccccc2)nc1.Cc1ccc(-c2ccccc2)nc1.Cc1ccc(-c2ccncc2)cc1.Cc1ccc(C(=O)N2CCOCC2)s1.Cc1ccc(F)c(-c2ccccc2)c1.Cc1ccc(F)cc1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(N2CCOCC2)cc1.Cc1cccc(C)c1.Cc1cccc(F)c1.Cc1cccc(OC(F)(F)F)c1.Cc1ccccc1
• InChI: InChI=1S/C14H11NS.C13H11F.C13H12.3C12H11N.C11H16N2.C11H15NO.C10H13NO2S.C9H12O.C9H8S.C8H7F3O.2C8H10O.C8H10.C7H6F2.2C7H7F.C7H9NO.C7H8/c1-10-2-4-11(5-3-10)14-8-12-9-15-7-6-13(12)16-14;1-10-7-8-13(14)12(9-10)11-5-3-2-4-6-11;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;2*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-8-2-3-9(14-8)10(12)11-4-6-13-7-5-11;1-3-10-9-6-4-5-8(2)7-9;1-7-6-8-4-2-3-5-9(8)10-7;1-6-3-2-4-7(5-6)12-8(9,10)11;1-7-3-5-8(9-2)6-4-7;1-7-4-3-5-8(6-7)9-2;1-7-4-3-5-8(2)6-7;1-5-2-6(8)4-7(9)3-5;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-3-4-7(9-2)8-5-6;1-7-5-3-2-4-6-7/h2-9H,1H3;2-9H,1H3;2-10H,1H3;3*2-9H,1H3;2-5,12H,6-9H2,1H3;2-5H,6-9H2,1H3;2-3H,4-7H2,1H3;4-7H,3H2,1-2H3;2-6H,1H3;2-5H,1H3;2*3-6H,1-2H3;3-6H,1-2H3;2-4H,1H3;2*2-5H,1H3;3-5H,1-2H3;2-6H,1H3
• InChIKey: HQXSUCVWXHXOBI-UHFFFAOYSA-N
• XLogP: 50.41
• TPSA: 167.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3027.00
LogP ≤ 5	50.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-methylbenzene;1-ethoxy-3-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;1-methyl-4-phenylbenzene;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperazine;4-(4-methylphenyl)pyridine;bis(5-methyl-2-phenylpyridine);2-(4-methylphenyl)thieno[3,2-c]pyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,3-xylene?

The IUPAC name of 1,3-difluoro-5-methylbenzene;1-ethoxy-3-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;1-methyl-4-phenylbenzene;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperazine;4-(4-methylphenyl)pyridine;bis(5-methyl-2-phenylpyridine);2-(4-methylphenyl)thieno[3,2-c]pyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,3-xylene (CID 158561358) is 1,3-difluoro-5-methylbenzene;1-ethoxy-3-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;1-methyl-4-phenylbenzene;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperazine;4-(4-methylphenyl)pyridine;bis(5-methyl-2-phenylpyridine);2-(4-methylphenyl)thieno[3,2-c]pyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,3-xylene.

What is the SMILES notation for 1,3-difluoro-5-methylbenzene;1-ethoxy-3-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;1-methyl-4-phenylbenzene;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperazine;4-(4-methylphenyl)pyridine;bis(5-methyl-2-phenylpyridine);2-(4-methylphenyl)thieno[3,2-c]pyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,3-xylene?

The canonical SMILES for 1,3-difluoro-5-methylbenzene;1-ethoxy-3-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;1-methyl-4-phenylbenzene;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperazine;4-(4-methylphenyl)pyridine;bis(5-methyl-2-phenylpyridine);2-(4-methylphenyl)thieno[3,2-c]pyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,3-xylene is CCOc1cccc(C)c1.COc1ccc(C)cc1.COc1ccc(C)cn1.COc1cccc(C)c1.Cc1cc(F)cc(F)c1.Cc1cc2ccccc2s1.Cc1ccc(-c2cc3cnccc3s2)cc1.Cc1ccc(-c2ccccc2)cc1.Cc1ccc(-c2ccccc2)nc1.Cc1ccc(-c2ccccc2)nc1.Cc1ccc(-c2ccncc2)cc1.Cc1ccc(C(=O)N2CCOCC2)s1.Cc1ccc(F)c(-c2ccccc2)c1.Cc1ccc(F)cc1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(N2CCOCC2)cc1.Cc1cccc(C)c1.Cc1cccc(F)c1.Cc1cccc(OC(F)(F)F)c1.Cc1ccccc1.

What is the InChIKey of 1,3-difluoro-5-methylbenzene;1-ethoxy-3-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;1-methyl-4-phenylbenzene;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperazine;4-(4-methylphenyl)pyridine;bis(5-methyl-2-phenylpyridine);2-(4-methylphenyl)thieno[3,2-c]pyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,3-xylene?

The InChIKey is HQXSUCVWXHXOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NS.C13H11F.C13H12.3C12H11N.C11H16N2.C11H15NO.C10H13NO2S.C9H12O.C9H8S.C8H7F3O.2C8H10O.C8H10.C7H6F2.2C7H7F.C7H9NO.C7H8/c1-10-2-4-11(5-3-10)14-8-12-9-15-7-6-13(12)16-14;1-10-7-8-13(14)12(9-10)11-5-3-2-4-6-11;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;2*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-8-2-3-9(14-8)10(12)11-4-6-13-7-5-11;1-3-10-9-6-4-5-8(2)7-9;1-7-6-8-4-2-3-5-9(8)10-7;1-6-3-2-4-7(5-6)12-8(9,10)11;1-7-3-5-8(9-2)6-4-7;1-7-4-3-5-8(6-7)9-2;1-7-4-3-5-8(2)6-7;1-5-2-6(8)4-7(9)3-5;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-3-4-7(9-2)8-5-6;1-7-5-3-2-4-6-7/h2-9H,1H3;2-9H,1H3;2-10H,1H3;3*2-9H,1H3;2-5,12H,6-9H2,1H3;2-5H,6-9H2,1H3;2-3H,4-7H2,1H3;4-7H,3H2,1-2H3;2-6H,1H3;2-5H,1H3;2*3-6H,1-2H3;3-6H,1-2H3;2-4H,1H3;2*2-5H,1H3;3-5H,1-2H3;2-6H,1H3.

What are the key properties of 1,3-difluoro-5-methylbenzene;1-ethoxy-3-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;1-methyl-4-phenylbenzene;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperazine;4-(4-methylphenyl)pyridine;bis(5-methyl-2-phenylpyridine);2-(4-methylphenyl)thieno[3,2-c]pyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,3-xylene?

1,3-difluoro-5-methylbenzene;1-ethoxy-3-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;1-methyl-4-phenylbenzene;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperazine;4-(4-methylphenyl)pyridine;bis(5-methyl-2-phenylpyridine);2-(4-methylphenyl)thieno[3,2-c]pyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,3-xylene has a molecular weight of 3027.00 g/mol, XLogP of 50.41, 15 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-difluoro-5-methylbenzene;1-ethoxy-3-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;1-methyl-4-phenylbenzene;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperazine;4-(4-methylphenyl)pyridine;bis(5-methyl-2-phenylpyridine);2-(4-methylphenyl)thieno[3,2-c]pyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,3-xylene is sourced from PubChem (CID 158561358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).