1-chloro-2,4-dimethylbenzene;1-chloro-3-methoxy-5-methylbenzene;2-chloro-5-methylphenol;2,6-difluoro-4-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;bis(3,6-dimethyl-1H-indole);2,5-dimethylpyrimidine;3-ethyl-6-methyl-2H-indazole;2-ethyl-5-methylthiophene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-4-methylthiophene;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indole;6-methyl-1H-indole;5-methylpyrimidin-2-amine;(4-methylthiophen-2-yl)methanol;1,2,4-trimethylbenzene

C192H222Cl3F4N17O11S3 — CID 159377946

About 1-chloro-2,4-dimethylbenzene;1-chloro-3-methoxy-5-methylbenzene;2-chloro-5-methylphenol;2,6-difluoro-4-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;bis(3,6-dimethyl-1H-indole);2,5-dimethylpyrimidine;3-ethyl-6-methyl-2H-indazole;2-ethyl-5-methylthiophene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-4-methylthiophene;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indole;6-methyl-1H-indole;5-methylpyrimidin-2-amine;(4-methylthiophen-2-yl)methanol;1,2,4-trimethylbenzene

1-chloro-2,4-dimethylbenzene;1-chloro-3-methoxy-5-methylbenzene;2-chloro-5-methylphenol;2,6-difluoro-4-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;bis(3,6-dimethyl-1H-indole);2,5-dimethylpyrimidine;3-ethyl-6-methyl-2H-indazole;2-ethyl-5-methylthiophene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-4-methylthiophene;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indole;6-methyl-1H-indole;5-methylpyrimidin-2-amine;(4-methylthiophen-2-yl)methanol;1,2,4-trimethylbenzene (PubChem CID 159377946) has the molecular formula C192H222Cl3F4N17O11S3 and a molecular weight of 3222.55 g/mol. Its IUPAC name is 1-chloro-2,4-dimethylbenzene;1-chloro-3-methoxy-5-methylbenzene;2-chloro-5-methylphenol;2,6-difluoro-4-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;bis(3,6-dimethyl-1H-indole);2,5-dimethylpyrimidine;3-ethyl-6-methyl-2H-indazole;2-ethyl-5-methylthiophene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-4-methylthiophene;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indole;6-methyl-1H-indole;5-methylpyrimidin-2-amine;(4-methylthiophen-2-yl)methanol;1,2,4-trimethylbenzene.

Molecular Properties

• Compound Name: 1-chloro-2,4-dimethylbenzene;1-chloro-3-methoxy-5-methylbenzene;2-chloro-5-methylphenol;2,6-difluoro-4-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;bis(3,6-dimethyl-1H-indole);2,5-dimethylpyrimidine;3-ethyl-6-methyl-2H-indazole;2-ethyl-5-methylthiophene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-4-methylthiophene;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indole;6-methyl-1H-indole;5-methylpyrimidin-2-amine;(4-methylthiophen-2-yl)methanol;1,2,4-trimethylbenzene
• PubChem CID: 159377946
• Molecular Formula: C192H222Cl3F4N17O11S3
• Molecular Weight: 3222.55 g/mol
• Exact Mass: 3218.55
• IUPAC Name: 1-chloro-2,4-dimethylbenzene;1-chloro-3-methoxy-5-methylbenzene;2-chloro-5-methylphenol;2,6-difluoro-4-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;bis(3,6-dimethyl-1H-indole);2,5-dimethylpyrimidine;3-ethyl-6-methyl-2H-indazole;2-ethyl-5-methylthiophene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-4-methylthiophene;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indole;6-methyl-1H-indole;5-methylpyrimidin-2-amine;(4-methylthiophen-2-yl)methanol;1,2,4-trimethylbenzene
• SMILES: CCc1[nH]nc2cc(C)ccc12.CCc1ccc(C)s1.COc1cc(C)cc(Cl)c1.COc1cc(C)cc(F)c1.COc1cc(C)ccc1F.COc1cc(C)cs1.COc1ccc(C)cc1.Cc1cc(F)c(O)c(F)c1.Cc1ccc(C)c(C)c1.Cc1ccc(Cl)c(C)c1.Cc1ccc(Cl)c(O)c1.Cc1ccc(N)cc1.Cc1ccc(O)c(O)c1.Cc1ccc2[nH]cc(C)c2c1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(c1)CCO2.Cc1ccc2cc[nH]c2c1.Cc1ccc2n[nH]c(C)c2c1.Cc1ccc2nc(C)[nH]c2c1.Cc1cnc(C)nc1.Cc1cnc(N)nc1.Cc1csc(CO)c1
• InChI: InChI=1S/C10H12N2.3C10H11N.2C9H10N2.2C9H9N.C9H10O.C9H12.C8H9ClO.C8H9Cl.2C8H9FO.C8H10O.C7H7ClO.C7H6F2O.C7H9N.C7H8O2.C7H10S.C6H8N2.2C6H8OS.C5H7N3/c1-3-9-8-5-4-7(2)6-10(8)12-11-9;1-7-3-4-10-9(5-7)8(2)6-11-10;2*1-7-3-4-9-8(2)6-11-10(9)5-7;1-6-3-4-9-8(5-6)7(2)10-11-9;1-6-3-4-8-9(5-6)11-7(2)10-8;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-4-5-8(2)9(3)6-7;1-6-3-7(9)5-8(4-6)10-2;1-6-3-4-8(9)7(2)5-6;1-6-3-7(9)5-8(4-6)10-2;1-6-3-4-7(9)8(5-6)10-2;1-7-3-5-8(9-2)6-4-7;1-5-2-3-6(8)7(9)4-5;1-4-2-5(8)7(10)6(9)3-4;1-6-2-4-7(8)5-3-6;1-5-2-3-6(8)7(9)4-5;1-3-7-5-4-6(2)8-7;1-5-3-7-6(2)8-4-5;1-5-3-6(7-2)8-4-5;1-5-2-6(3-7)8-4-5;1-4-2-7-5(6)8-3-4/h4-6H,3H2,1-2H3,(H,11,12);3*3-6,11H,1-2H3;2*3-5H,1-2H3,(H,10,11);2*2-6,10H,1H3;2-3,6H,4-5H2,1H3;4-6H,1-3H3;3-5H,1-2H3;3-5H,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;2-4,9H,1H3;2-3,10H,1H3;2-5H,8H2,1H3;2-4,8-9H,1H3;4-5H,3H2,1-2H3;2*3-4H,1-2H3;2,4,7H,3H2,1H3;2-3H,1H3,(H2,6,7,8)
• InChIKey: LKOADQGTJNVFGK-UHFFFAOYSA-N
• XLogP: 51.55
• TPSA: 425.12 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 23
• Rotatable Bonds: 8
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3222.55
LogP ≤ 5	51.55
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,4-dimethylbenzene;1-chloro-3-methoxy-5-methylbenzene;2-chloro-5-methylphenol;2,6-difluoro-4-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;bis(3,6-dimethyl-1H-indole);2,5-dimethylpyrimidine;3-ethyl-6-methyl-2H-indazole;2-ethyl-5-methylthiophene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-4-methylthiophene;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indole;6-methyl-1H-indole;5-methylpyrimidin-2-amine;(4-methylthiophen-2-yl)methanol;1,2,4-trimethylbenzene?

The IUPAC name of 1-chloro-2,4-dimethylbenzene;1-chloro-3-methoxy-5-methylbenzene;2-chloro-5-methylphenol;2,6-difluoro-4-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;bis(3,6-dimethyl-1H-indole);2,5-dimethylpyrimidine;3-ethyl-6-methyl-2H-indazole;2-ethyl-5-methylthiophene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-4-methylthiophene;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indole;6-methyl-1H-indole;5-methylpyrimidin-2-amine;(4-methylthiophen-2-yl)methanol;1,2,4-trimethylbenzene (CID 159377946) is 1-chloro-2,4-dimethylbenzene;1-chloro-3-methoxy-5-methylbenzene;2-chloro-5-methylphenol;2,6-difluoro-4-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;bis(3,6-dimethyl-1H-indole);2,5-dimethylpyrimidine;3-ethyl-6-methyl-2H-indazole;2-ethyl-5-methylthiophene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-4-methylthiophene;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indole;6-methyl-1H-indole;5-methylpyrimidin-2-amine;(4-methylthiophen-2-yl)methanol;1,2,4-trimethylbenzene.

What is the SMILES notation for 1-chloro-2,4-dimethylbenzene;1-chloro-3-methoxy-5-methylbenzene;2-chloro-5-methylphenol;2,6-difluoro-4-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;bis(3,6-dimethyl-1H-indole);2,5-dimethylpyrimidine;3-ethyl-6-methyl-2H-indazole;2-ethyl-5-methylthiophene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-4-methylthiophene;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indole;6-methyl-1H-indole;5-methylpyrimidin-2-amine;(4-methylthiophen-2-yl)methanol;1,2,4-trimethylbenzene?

The canonical SMILES for 1-chloro-2,4-dimethylbenzene;1-chloro-3-methoxy-5-methylbenzene;2-chloro-5-methylphenol;2,6-difluoro-4-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;bis(3,6-dimethyl-1H-indole);2,5-dimethylpyrimidine;3-ethyl-6-methyl-2H-indazole;2-ethyl-5-methylthiophene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-4-methylthiophene;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indole;6-methyl-1H-indole;5-methylpyrimidin-2-amine;(4-methylthiophen-2-yl)methanol;1,2,4-trimethylbenzene is CCc1[nH]nc2cc(C)ccc12.CCc1ccc(C)s1.COc1cc(C)cc(Cl)c1.COc1cc(C)cc(F)c1.COc1cc(C)ccc1F.COc1cc(C)cs1.COc1ccc(C)cc1.Cc1cc(F)c(O)c(F)c1.Cc1ccc(C)c(C)c1.Cc1ccc(Cl)c(C)c1.Cc1ccc(Cl)c(O)c1.Cc1ccc(N)cc1.Cc1ccc(O)c(O)c1.Cc1ccc2[nH]cc(C)c2c1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(c1)CCO2.Cc1ccc2cc[nH]c2c1.Cc1ccc2n[nH]c(C)c2c1.Cc1ccc2nc(C)[nH]c2c1.Cc1cnc(C)nc1.Cc1cnc(N)nc1.Cc1csc(CO)c1.

What is the InChIKey of 1-chloro-2,4-dimethylbenzene;1-chloro-3-methoxy-5-methylbenzene;2-chloro-5-methylphenol;2,6-difluoro-4-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;bis(3,6-dimethyl-1H-indole);2,5-dimethylpyrimidine;3-ethyl-6-methyl-2H-indazole;2-ethyl-5-methylthiophene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-4-methylthiophene;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indole;6-methyl-1H-indole;5-methylpyrimidin-2-amine;(4-methylthiophen-2-yl)methanol;1,2,4-trimethylbenzene?

The InChIKey is LKOADQGTJNVFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.3C10H11N.2C9H10N2.2C9H9N.C9H10O.C9H12.C8H9ClO.C8H9Cl.2C8H9FO.C8H10O.C7H7ClO.C7H6F2O.C7H9N.C7H8O2.C7H10S.C6H8N2.2C6H8OS.C5H7N3/c1-3-9-8-5-4-7(2)6-10(8)12-11-9;1-7-3-4-10-9(5-7)8(2)6-11-10;2*1-7-3-4-9-8(2)6-11-10(9)5-7;1-6-3-4-9-8(5-6)7(2)10-11-9;1-6-3-4-8-9(5-6)11-7(2)10-8;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-4-5-8(2)9(3)6-7;1-6-3-7(9)5-8(4-6)10-2;1-6-3-4-8(9)7(2)5-6;1-6-3-7(9)5-8(4-6)10-2;1-6-3-4-7(9)8(5-6)10-2;1-7-3-5-8(9-2)6-4-7;1-5-2-3-6(8)7(9)4-5;1-4-2-5(8)7(10)6(9)3-4;1-6-2-4-7(8)5-3-6;1-5-2-3-6(8)7(9)4-5;1-3-7-5-4-6(2)8-7;1-5-3-7-6(2)8-4-5;1-5-3-6(7-2)8-4-5;1-5-2-6(3-7)8-4-5;1-4-2-7-5(6)8-3-4/h4-6H,3H2,1-2H3,(H,11,12);3*3-6,11H,1-2H3;2*3-5H,1-2H3,(H,10,11);2*2-6,10H,1H3;2-3,6H,4-5H2,1H3;4-6H,1-3H3;3-5H,1-2H3;3-5H,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;2-4,9H,1H3;2-3,10H,1H3;2-5H,8H2,1H3;2-4,8-9H,1H3;4-5H,3H2,1-2H3;2*3-4H,1-2H3;2,4,7H,3H2,1H3;2-3H,1H3,(H2,6,7,8).

What are the key properties of 1-chloro-2,4-dimethylbenzene;1-chloro-3-methoxy-5-methylbenzene;2-chloro-5-methylphenol;2,6-difluoro-4-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;bis(3,6-dimethyl-1H-indole);2,5-dimethylpyrimidine;3-ethyl-6-methyl-2H-indazole;2-ethyl-5-methylthiophene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-4-methylthiophene;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indole;6-methyl-1H-indole;5-methylpyrimidin-2-amine;(4-methylthiophen-2-yl)methanol;1,2,4-trimethylbenzene?

1-chloro-2,4-dimethylbenzene;1-chloro-3-methoxy-5-methylbenzene;2-chloro-5-methylphenol;2,6-difluoro-4-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;bis(3,6-dimethyl-1H-indole);2,5-dimethylpyrimidine;3-ethyl-6-methyl-2H-indazole;2-ethyl-5-methylthiophene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-4-methylthiophene;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indole;6-methyl-1H-indole;5-methylpyrimidin-2-amine;(4-methylthiophen-2-yl)methanol;1,2,4-trimethylbenzene has a molecular weight of 3222.55 g/mol, XLogP of 51.55, 8 rotatable bonds, 15 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-2,4-dimethylbenzene;1-chloro-3-methoxy-5-methylbenzene;2-chloro-5-methylphenol;2,6-difluoro-4-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;bis(3,6-dimethyl-1H-indole);2,5-dimethylpyrimidine;3-ethyl-6-methyl-2H-indazole;2-ethyl-5-methylthiophene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-4-methylthiophene;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indole;6-methyl-1H-indole;5-methylpyrimidin-2-amine;(4-methylthiophen-2-yl)methanol;1,2,4-trimethylbenzene is sourced from PubChem (CID 159377946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).