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)

C163H188ClF9N6O7S — CID 158055752

IUPAC1-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)
SMILESCOc1c(C)cc(F)cc1C.COc1cc(F)ccc1C.COc1ccc(C)cc1.COc1ccc(F)cc1C.COc1ccccc1C.Cc1cc(C)cc(F)c1.Cc1ccc(C#N)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)o1.Cc1ccc(F)cc1F.Cc1cccc(C)c1.Cc1cccc(F)c1F.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1Cl.Cc1ccccc1F.Cc1ccccn1.Cc1ccco1.Cc1ccn(C)n1.Cc1ccncc1.Cc1nccs1
InChIInChI=1S/C9H11FO.2C8H9FO.C8H9F.C8H7N.2C8H10O.4C8H10.C7H7Cl.2C7H6F2.C7H7F.2C7H8.2C6H7N.C6H8O.C5H8N2.C5H6O.C4H5NS/c1-6-4-8(10)5-7(2)9(6)11-3;1-6-5-7(9)3-4-8(6)10-2;1-6-3-4-7(9)5-8(6)10-2;1-6-3-7(2)5-8(9)4-6;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;3*1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-4-2-3-5-7(6)8;1-5-2-3-6(8)4-7(5)9;1-5-3-2-4-6(8)7(5)9;1-6-4-2-3-5-7(6)8;2*1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6;1-5-3-4-6(2)7-5;1-5-3-4-7(2)6-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4/h4-5H,1-3H3;2*3-5H,1-2H3;3-5H,1-2H3;2-5H,1H3;2*3-6H,1-2H3;4*3-6H,1-2H3;2-5H,1H3;2*2-4H,1H3;2-5H,1H3;2*2-6H,1H3;2*2-5H,1H3;2*3-4H,1-2H3;2-4H,1H3;2-3H,1H3
InChIKeyFKALUOWRQATPSL-UHFFFAOYSA-N
MW2581.83 g/mol
LogP46.03
Rot. Bonds5

About 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)

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) (PubChem CID 158055752) has the molecular formula C163H188ClF9N6O7S and a molecular weight of 2581.83 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name1-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)
PubChem CID158055752
Molecular FormulaC163H188ClF9N6O7S
Molecular Weight2581.83 g/mol
Exact Mass2579.38
IUPAC Name1-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)
SMILESCOc1c(C)cc(F)cc1C.COc1cc(F)ccc1C.COc1ccc(C)cc1.COc1ccc(F)cc1C.COc1ccccc1C.Cc1cc(C)cc(F)c1.Cc1ccc(C#N)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)o1.Cc1ccc(F)cc1F.Cc1cccc(C)c1.Cc1cccc(F)c1F.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1Cl.Cc1ccccc1F.Cc1ccccn1.Cc1ccco1.Cc1ccn(C)n1.Cc1ccncc1.Cc1nccs1
InChIInChI=1S/C9H11FO.2C8H9FO.C8H9F.C8H7N.2C8H10O.4C8H10.C7H7Cl.2C7H6F2.C7H7F.2C7H8.2C6H7N.C6H8O.C5H8N2.C5H6O.C4H5NS/c1-6-4-8(10)5-7(2)9(6)11-3;1-6-5-7(9)3-4-8(6)10-2;1-6-3-4-7(9)5-8(6)10-2;1-6-3-7(2)5-8(9)4-6;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;3*1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-4-2-3-5-7(6)8;1-5-2-3-6(8)4-7(5)9;1-5-3-2-4-6(8)7(5)9;1-6-4-2-3-5-7(6)8;2*1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6;1-5-3-4-6(2)7-5;1-5-3-4-7(2)6-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4/h4-5H,1-3H3;2*3-5H,1-2H3;3-5H,1-2H3;2-5H,1H3;2*3-6H,1-2H3;4*3-6H,1-2H3;2-5H,1H3;2*2-4H,1H3;2-5H,1H3;2*2-6H,1H3;2*2-5H,1H3;2*3-4H,1-2H3;2-4H,1H3;2-3H,1H3
InChIKeyFKALUOWRQATPSL-UHFFFAOYSA-N
XLogP46.03
TPSA152.71 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms187
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002581.83
LogP ≤ 546.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 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) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is COc1c(C)cc(F)cc1C.COc1cc(F)ccc1C.COc1ccc(C)cc1.COc1ccc(F)cc1C.COc1ccccc1C.Cc1cc(C)cc(F)c1.Cc1ccc(C#N)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)o1.Cc1ccc(F)cc1F.Cc1cccc(C)c1.Cc1cccc(F)c1F.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1Cl.Cc1ccccc1F.Cc1ccccn1.Cc1ccco1.Cc1ccn(C)n1.Cc1ccncc1.Cc1nccs1.
What is the InChIKey of 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)?
The InChIKey is FKALUOWRQATPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO.2C8H9FO.C8H9F.C8H7N.2C8H10O.4C8H10.C7H7Cl.2C7H6F2.C7H7F.2C7H8.2C6H7N.C6H8O.C5H8N2.C5H6O.C4H5NS/c1-6-4-8(10)5-7(2)9(6)11-3;1-6-5-7(9)3-4-8(6)10-2;1-6-3-4-7(9)5-8(6)10-2;1-6-3-7(2)5-8(9)4-6;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;3*1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-4-2-3-5-7(6)8;1-5-2-3-6(8)4-7(5)9;1-5-3-2-4-6(8)7(5)9;1-6-4-2-3-5-7(6)8;2*1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6;1-5-3-4-6(2)7-5;1-5-3-4-7(2)6-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4/h4-5H,1-3H3;2*3-5H,1-2H3;3-5H,1-2H3;2-5H,1H3;2*3-6H,1-2H3;4*3-6H,1-2H3;2-5H,1H3;2*2-4H,1H3;2-5H,1H3;2*2-6H,1H3;2*2-5H,1H3;2*3-4H,1-2H3;2-4H,1H3;2-3H,1H3.
What are the key properties of 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)?
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) has a molecular weight of 2581.83 g/mol, XLogP of 46.03, 5 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 158055752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).