1-bromo-2-methylbenzene;1-bromo-4-methylbenzene;2,4-dimethyl-1,3-thiazole;1-fluoro-4-methylbenzene;4-methylcyclohexa-2,4-dien-1-one;4-methyl-1,3-oxazole;1-methyl-4-propan-2-ylbenzene;bis(2-methylpyridine);4-methylpyridine;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazole;1-methyl-4-(trifluoromethyl)benzene;toluene;bis(1,2-xylene);bis(1,3-xylene)

C126H150Br2F4N8O2S2 — CID 161101701

About 1-bromo-2-methylbenzene;1-bromo-4-methylbenzene;2,4-dimethyl-1,3-thiazole;1-fluoro-4-methylbenzene;4-methylcyclohexa-2,4-dien-1-one;4-methyl-1,3-oxazole;1-methyl-4-propan-2-ylbenzene;bis(2-methylpyridine);4-methylpyridine;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazole;1-methyl-4-(trifluoromethyl)benzene;toluene;bis(1,2-xylene);bis(1,3-xylene)

1-bromo-2-methylbenzene;1-bromo-4-methylbenzene;2,4-dimethyl-1,3-thiazole;1-fluoro-4-methylbenzene;4-methylcyclohexa-2,4-dien-1-one;4-methyl-1,3-oxazole;1-methyl-4-propan-2-ylbenzene;bis(2-methylpyridine);4-methylpyridine;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazole;1-methyl-4-(trifluoromethyl)benzene;toluene;bis(1,2-xylene);bis(1,3-xylene) (PubChem CID 161101701) has the molecular formula C126H150Br2F4N8O2S2 and a molecular weight of 2108.57 g/mol. Its IUPAC name is 1-bromo-2-methylbenzene;1-bromo-4-methylbenzene;2,4-dimethyl-1,3-thiazole;1-fluoro-4-methylbenzene;4-methylcyclohexa-2,4-dien-1-one;4-methyl-1,3-oxazole;1-methyl-4-propan-2-ylbenzene;bis(2-methylpyridine);4-methylpyridine;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazole;1-methyl-4-(trifluoromethyl)benzene;toluene;bis(1,2-xylene);bis(1,3-xylene).

Molecular Properties

• Compound Name: 1-bromo-2-methylbenzene;1-bromo-4-methylbenzene;2,4-dimethyl-1,3-thiazole;1-fluoro-4-methylbenzene;4-methylcyclohexa-2,4-dien-1-one;4-methyl-1,3-oxazole;1-methyl-4-propan-2-ylbenzene;bis(2-methylpyridine);4-methylpyridine;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazole;1-methyl-4-(trifluoromethyl)benzene;toluene;bis(1,2-xylene);bis(1,3-xylene)
• PubChem CID: 161101701
• Molecular Formula: C126H150Br2F4N8O2S2
• Molecular Weight: 2108.57 g/mol
• Exact Mass: 2104.96
• IUPAC Name: 1-bromo-2-methylbenzene;1-bromo-4-methylbenzene;2,4-dimethyl-1,3-thiazole;1-fluoro-4-methylbenzene;4-methylcyclohexa-2,4-dien-1-one;4-methyl-1,3-oxazole;1-methyl-4-propan-2-ylbenzene;bis(2-methylpyridine);4-methylpyridine;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazole;1-methyl-4-(trifluoromethyl)benzene;toluene;bis(1,2-xylene);bis(1,3-xylene)
• SMILES: CC1=CCC(=O)C=C1.CC1=CCC=N1.CC1=NCC=C1.Cc1ccc(Br)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(F)(F)F)cc1.Cc1ccc(F)cc1.Cc1cccc(C)c1.Cc1cccc(C)c1.Cc1ccccc1.Cc1ccccc1Br.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccn1.Cc1ccccn1.Cc1ccncc1.Cc1cocn1.Cc1csc(C)n1.Cc1cscn1
• InChI: InChI=1S/C10H14.C8H7F3.4C8H10.2C7H7Br.C7H7F.C7H8O.C7H8.3C6H7N.C5H7NS.2C5H7N.C4H5NO.C4H5NS/c1-8(2)10-6-4-9(3)5-7-10;1-6-2-4-7(5-3-6)8(9,10)11;2*1-7-4-3-5-8(2)6-7;2*1-7-5-3-4-6-8(7)2;1-6-2-4-7(8)5-3-6;1-6-4-2-3-5-7(6)8;2*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;2*1-6-4-2-3-5-7-6;1-4-3-7-5(2)6-4;2*1-5-3-2-4-6-5;2*1-4-2-6-3-5-4/h4-8H,1-3H3;2-5H,1H3;4*3-6H,1-2H3;3*2-5H,1H3;2-4H,5H2,1H3;2-6H,1H3;3*2-5H,1H3;3H,1-2H3;3-4H,2H2,1H3;2-3H,4H2,1H3;2*2-3H,1H3
• InChIKey: UINBSGWFWGQFMG-UHFFFAOYSA-N
• XLogP: 37.20
• TPSA: 132.27 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 1
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2108.57
LogP ≤ 5	37.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methylbenzene;1-bromo-4-methylbenzene;2,4-dimethyl-1,3-thiazole;1-fluoro-4-methylbenzene;4-methylcyclohexa-2,4-dien-1-one;4-methyl-1,3-oxazole;1-methyl-4-propan-2-ylbenzene;bis(2-methylpyridine);4-methylpyridine;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazole;1-methyl-4-(trifluoromethyl)benzene;toluene;bis(1,2-xylene);bis(1,3-xylene)?

The IUPAC name of 1-bromo-2-methylbenzene;1-bromo-4-methylbenzene;2,4-dimethyl-1,3-thiazole;1-fluoro-4-methylbenzene;4-methylcyclohexa-2,4-dien-1-one;4-methyl-1,3-oxazole;1-methyl-4-propan-2-ylbenzene;bis(2-methylpyridine);4-methylpyridine;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazole;1-methyl-4-(trifluoromethyl)benzene;toluene;bis(1,2-xylene);bis(1,3-xylene) (CID 161101701) is 1-bromo-2-methylbenzene;1-bromo-4-methylbenzene;2,4-dimethyl-1,3-thiazole;1-fluoro-4-methylbenzene;4-methylcyclohexa-2,4-dien-1-one;4-methyl-1,3-oxazole;1-methyl-4-propan-2-ylbenzene;bis(2-methylpyridine);4-methylpyridine;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazole;1-methyl-4-(trifluoromethyl)benzene;toluene;bis(1,2-xylene);bis(1,3-xylene).

What is the SMILES notation for 1-bromo-2-methylbenzene;1-bromo-4-methylbenzene;2,4-dimethyl-1,3-thiazole;1-fluoro-4-methylbenzene;4-methylcyclohexa-2,4-dien-1-one;4-methyl-1,3-oxazole;1-methyl-4-propan-2-ylbenzene;bis(2-methylpyridine);4-methylpyridine;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazole;1-methyl-4-(trifluoromethyl)benzene;toluene;bis(1,2-xylene);bis(1,3-xylene)?

The canonical SMILES for 1-bromo-2-methylbenzene;1-bromo-4-methylbenzene;2,4-dimethyl-1,3-thiazole;1-fluoro-4-methylbenzene;4-methylcyclohexa-2,4-dien-1-one;4-methyl-1,3-oxazole;1-methyl-4-propan-2-ylbenzene;bis(2-methylpyridine);4-methylpyridine;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazole;1-methyl-4-(trifluoromethyl)benzene;toluene;bis(1,2-xylene);bis(1,3-xylene) is CC1=CCC(=O)C=C1.CC1=CCC=N1.CC1=NCC=C1.Cc1ccc(Br)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(F)(F)F)cc1.Cc1ccc(F)cc1.Cc1cccc(C)c1.Cc1cccc(C)c1.Cc1ccccc1.Cc1ccccc1Br.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccn1.Cc1ccccn1.Cc1ccncc1.Cc1cocn1.Cc1csc(C)n1.Cc1cscn1.

What is the InChIKey of 1-bromo-2-methylbenzene;1-bromo-4-methylbenzene;2,4-dimethyl-1,3-thiazole;1-fluoro-4-methylbenzene;4-methylcyclohexa-2,4-dien-1-one;4-methyl-1,3-oxazole;1-methyl-4-propan-2-ylbenzene;bis(2-methylpyridine);4-methylpyridine;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazole;1-methyl-4-(trifluoromethyl)benzene;toluene;bis(1,2-xylene);bis(1,3-xylene)?

The InChIKey is UINBSGWFWGQFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C8H7F3.4C8H10.2C7H7Br.C7H7F.C7H8O.C7H8.3C6H7N.C5H7NS.2C5H7N.C4H5NO.C4H5NS/c1-8(2)10-6-4-9(3)5-7-10;1-6-2-4-7(5-3-6)8(9,10)11;2*1-7-4-3-5-8(2)6-7;2*1-7-5-3-4-6-8(7)2;1-6-2-4-7(8)5-3-6;1-6-4-2-3-5-7(6)8;2*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;2*1-6-4-2-3-5-7-6;1-4-3-7-5(2)6-4;2*1-5-3-2-4-6-5;2*1-4-2-6-3-5-4/h4-8H,1-3H3;2-5H,1H3;4*3-6H,1-2H3;3*2-5H,1H3;2-4H,5H2,1H3;2-6H,1H3;3*2-5H,1H3;3H,1-2H3;3-4H,2H2,1H3;2-3H,4H2,1H3;2*2-3H,1H3.

What are the key properties of 1-bromo-2-methylbenzene;1-bromo-4-methylbenzene;2,4-dimethyl-1,3-thiazole;1-fluoro-4-methylbenzene;4-methylcyclohexa-2,4-dien-1-one;4-methyl-1,3-oxazole;1-methyl-4-propan-2-ylbenzene;bis(2-methylpyridine);4-methylpyridine;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazole;1-methyl-4-(trifluoromethyl)benzene;toluene;bis(1,2-xylene);bis(1,3-xylene)?

1-bromo-2-methylbenzene;1-bromo-4-methylbenzene;2,4-dimethyl-1,3-thiazole;1-fluoro-4-methylbenzene;4-methylcyclohexa-2,4-dien-1-one;4-methyl-1,3-oxazole;1-methyl-4-propan-2-ylbenzene;bis(2-methylpyridine);4-methylpyridine;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazole;1-methyl-4-(trifluoromethyl)benzene;toluene;bis(1,2-xylene);bis(1,3-xylene) has a molecular weight of 2108.57 g/mol, XLogP of 37.20, 1 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-2-methylbenzene;1-bromo-4-methylbenzene;2,4-dimethyl-1,3-thiazole;1-fluoro-4-methylbenzene;4-methylcyclohexa-2,4-dien-1-one;4-methyl-1,3-oxazole;1-methyl-4-propan-2-ylbenzene;bis(2-methylpyridine);4-methylpyridine;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;4-methyl-1,3-thiazole;1-methyl-4-(trifluoromethyl)benzene;toluene;bis(1,2-xylene);bis(1,3-xylene) is sourced from PubChem (CID 161101701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).