1-chloro-4-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;1,3-dimethylpyrazole;4-fluoro-2-methoxy-1-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;2-methylfuran;4-methylphenol;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene

C127H138ClF10N7O5S — CID 157132504

IUPAC1-chloro-4-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;1,3-dimethylpyrazole;4-fluoro-2-methoxy-1-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;2-methylfuran;4-methylphenol;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene
SMILESCOc1cc(F)ccc1C.COc1ccc(C)cc1.COc1ccccc1C.Cc1cc(F)cc(F)c1.Cc1ccc(C#N)cc1.Cc1ccc(Cl)cc1.Cc1ccc(F)cc1.Cc1ccc(F)cc1F.Cc1ccc(O)cc1.Cc1cccc(F)c1.Cc1cccc(F)c1F.Cc1ccccc1.Cc1ccccc1F.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1ccn(C)n1.Cc1ccncc1.Cc1nccs1
InChIInChI=1S/C8H9FO.C8H7N.2C8H10O.C7H7Cl.3C7H6F2.3C7H7F.C7H8O.C7H8.3C6H7N.C5H8N2.C5H6O.C4H5NS/c1-6-3-4-7(9)5-8(6)10-2;1-7-2-4-8(6-9)5-3-7;1-7-3-5-8(9-2)6-4-7;1-7-5-3-4-6-8(7)9-2;1-6-2-4-7(8)5-3-6;1-5-2-6(8)4-7(9)3-5;1-5-2-3-6(8)4-7(5)9;1-5-3-2-4-6(8)7(5)9;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-3-4-7(2)6-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4/h3-5H,1-2H3;2-5H,1H3;2*3-6H,1-2H3;2-5H,1H3;3*2-4H,1H3;3*2-5H,1H3;2-5,8H,1H3;2-6H,1H3;3*2-5H,1H3;3-4H,1-2H3;2-4H,1H3;2-3H,1H3
InChIKeyAJFTUPRMUNTULB-UHFFFAOYSA-N
MW2100.04 g/mol
LogP35.52
Rot. Bonds3

About 1-chloro-4-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;1,3-dimethylpyrazole;4-fluoro-2-methoxy-1-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;2-methylfuran;4-methylphenol;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene

1-chloro-4-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;1,3-dimethylpyrazole;4-fluoro-2-methoxy-1-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;2-methylfuran;4-methylphenol;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene (PubChem CID 157132504) has the molecular formula C127H138ClF10N7O5S and a molecular weight of 2100.04 g/mol. Its IUPAC name is 1-chloro-4-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;1,3-dimethylpyrazole;4-fluoro-2-methoxy-1-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;2-methylfuran;4-methylphenol;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene.

Molecular Properties

Compound Name1-chloro-4-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;1,3-dimethylpyrazole;4-fluoro-2-methoxy-1-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;2-methylfuran;4-methylphenol;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene
PubChem CID157132504
Molecular FormulaC127H138ClF10N7O5S
Molecular Weight2100.04 g/mol
Exact Mass2098.00
IUPAC Name1-chloro-4-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;1,3-dimethylpyrazole;4-fluoro-2-methoxy-1-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;2-methylfuran;4-methylphenol;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene
SMILESCOc1cc(F)ccc1C.COc1ccc(C)cc1.COc1ccccc1C.Cc1cc(F)cc(F)c1.Cc1ccc(C#N)cc1.Cc1ccc(Cl)cc1.Cc1ccc(F)cc1.Cc1ccc(F)cc1F.Cc1ccc(O)cc1.Cc1cccc(F)c1.Cc1cccc(F)c1F.Cc1ccccc1.Cc1ccccc1F.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1ccn(C)n1.Cc1ccncc1.Cc1nccs1
InChIInChI=1S/C8H9FO.C8H7N.2C8H10O.C7H7Cl.3C7H6F2.3C7H7F.C7H8O.C7H8.3C6H7N.C5H8N2.C5H6O.C4H5NS/c1-6-3-4-7(9)5-8(6)10-2;1-7-2-4-8(6-9)5-3-7;1-7-3-5-8(9-2)6-4-7;1-7-5-3-4-6-8(7)9-2;1-6-2-4-7(8)5-3-6;1-5-2-6(8)4-7(9)3-5;1-5-2-3-6(8)4-7(5)9;1-5-3-2-4-6(8)7(5)9;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-3-4-7(2)6-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4/h3-5H,1-2H3;2-5H,1H3;2*3-6H,1-2H3;2-5H,1H3;3*2-4H,1H3;3*2-5H,1H3;2-5,8H,1H3;2-6H,1H3;3*2-5H,1H3;3-4H,1-2H3;2-4H,1H3;2-3H,1H3
InChIKeyAJFTUPRMUNTULB-UHFFFAOYSA-N
XLogP35.52
TPSA154.23 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds3
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002100.04
LogP ≤ 535.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 1-chloro-4-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;1,3-dimethylpyrazole;4-fluoro-2-methoxy-1-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;2-methylfuran;4-methylphenol;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene with MolForge

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Related Compounds

1-Chloro-2-methylbenzene;1,5-difluoro-2-methoxy-3-methylbenzene;2,4-difluoro-1-methylbenzene;2,5-dimethylfuran;1,3-dimethylpyrazole;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,3-dimethylbenzene;4-fluoro-1-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene;tris(1,4-xylene)
CID 157286438
1-Chloro-2-methylbenzene;1,2-difluoro-3-methylbenzene;2,4-difluoro-1-methylbenzene;2,5-dimethylfuran;1,3-dimethylpyrazole;1-fluoro-3,5-dimethylbenzene;5-fluoro-2-methoxy-1,3-dimethylbenzene;4-fluoro-1-methoxy-2-methylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-fluoro-2-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;2-methylfuran;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene;1,3-xylene;tris(1,4-xylene)
CID 158055752
1,2-Difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;1,3-dimethylpyrazole;2-fluoro-1,4-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;3-methylpyridine;2-methyl-1,3-thiazole;toluene;tetrakis(1,4-xylene)
CID 158789426
1,2-Difluoro-3-methylbenzene;2,4-difluoro-1-methylbenzene;1,3-dimethylpyrazole;1-fluoro-3,5-dimethylbenzene;4-fluoro-2-methoxy-1-methylbenzene;1-fluoro-2-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;2-methylfuran;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene;1,3-xylene;tris(1,4-xylene)
CID 160132603

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;1,3-dimethylpyrazole;4-fluoro-2-methoxy-1-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;2-methylfuran;4-methylphenol;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene?
The IUPAC name of 1-chloro-4-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;1,3-dimethylpyrazole;4-fluoro-2-methoxy-1-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;2-methylfuran;4-methylphenol;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene (CID 157132504) is 1-chloro-4-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;1,3-dimethylpyrazole;4-fluoro-2-methoxy-1-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;2-methylfuran;4-methylphenol;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene.
What is the SMILES notation for 1-chloro-4-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;1,3-dimethylpyrazole;4-fluoro-2-methoxy-1-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;2-methylfuran;4-methylphenol;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene?
The canonical SMILES for 1-chloro-4-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;1,3-dimethylpyrazole;4-fluoro-2-methoxy-1-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;2-methylfuran;4-methylphenol;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene is COc1cc(F)ccc1C.COc1ccc(C)cc1.COc1ccccc1C.Cc1cc(F)cc(F)c1.Cc1ccc(C#N)cc1.Cc1ccc(Cl)cc1.Cc1ccc(F)cc1.Cc1ccc(F)cc1F.Cc1ccc(O)cc1.Cc1cccc(F)c1.Cc1cccc(F)c1F.Cc1ccccc1.Cc1ccccc1F.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1ccn(C)n1.Cc1ccncc1.Cc1nccs1.
What is the InChIKey of 1-chloro-4-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;1,3-dimethylpyrazole;4-fluoro-2-methoxy-1-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;2-methylfuran;4-methylphenol;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene?
The InChIKey is AJFTUPRMUNTULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO.C8H7N.2C8H10O.C7H7Cl.3C7H6F2.3C7H7F.C7H8O.C7H8.3C6H7N.C5H8N2.C5H6O.C4H5NS/c1-6-3-4-7(9)5-8(6)10-2;1-7-2-4-8(6-9)5-3-7;1-7-3-5-8(9-2)6-4-7;1-7-5-3-4-6-8(7)9-2;1-6-2-4-7(8)5-3-6;1-5-2-6(8)4-7(9)3-5;1-5-2-3-6(8)4-7(5)9;1-5-3-2-4-6(8)7(5)9;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-3-4-7(2)6-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4/h3-5H,1-2H3;2-5H,1H3;2*3-6H,1-2H3;2-5H,1H3;3*2-4H,1H3;3*2-5H,1H3;2-5,8H,1H3;2-6H,1H3;3*2-5H,1H3;3-4H,1-2H3;2-4H,1H3;2-3H,1H3.
What are the key properties of 1-chloro-4-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;1,3-dimethylpyrazole;4-fluoro-2-methoxy-1-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;2-methylfuran;4-methylphenol;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene?
1-chloro-4-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;1,3-dimethylpyrazole;4-fluoro-2-methoxy-1-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;2-methylfuran;4-methylphenol;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene has a molecular weight of 2100.04 g/mol, XLogP of 35.52, 3 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;1,3-dimethylpyrazole;4-fluoro-2-methoxy-1-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;2-methylfuran;4-methylphenol;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;toluene is sourced from PubChem (CID 157132504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).