2-bromo-4-methylphenol;2-bromo-5-methylthiophene;2-chloro-1,4-dimethylbenzene;2-chloro-5-methylthiophene;2,4-dimethylphenol;2,3-dimethylthiophene;bis(2,5-dimethylthiophene);2-fluoro-1,4-dimethylbenzene;2-methylfuran;3-methylpyridine

C70H82Br2Cl2FNO3S5 — CID 159467309

About 2-bromo-4-methylphenol;2-bromo-5-methylthiophene;2-chloro-1,4-dimethylbenzene;2-chloro-5-methylthiophene;2,4-dimethylphenol;2,3-dimethylthiophene;bis(2,5-dimethylthiophene);2-fluoro-1,4-dimethylbenzene;2-methylfuran;3-methylpyridine

2-bromo-4-methylphenol;2-bromo-5-methylthiophene;2-chloro-1,4-dimethylbenzene;2-chloro-5-methylthiophene;2,4-dimethylphenol;2,3-dimethylthiophene;bis(2,5-dimethylthiophene);2-fluoro-1,4-dimethylbenzene;2-methylfuran;3-methylpyridine (PubChem CID 159467309) has the molecular formula C70H82Br2Cl2FNO3S5 and a molecular weight of 1395.48 g/mol. Its IUPAC name is 2-bromo-4-methylphenol;2-bromo-5-methylthiophene;2-chloro-1,4-dimethylbenzene;2-chloro-5-methylthiophene;2,4-dimethylphenol;2,3-dimethylthiophene;bis(2,5-dimethylthiophene);2-fluoro-1,4-dimethylbenzene;2-methylfuran;3-methylpyridine.

Molecular Properties

• Compound Name: 2-bromo-4-methylphenol;2-bromo-5-methylthiophene;2-chloro-1,4-dimethylbenzene;2-chloro-5-methylthiophene;2,4-dimethylphenol;2,3-dimethylthiophene;bis(2,5-dimethylthiophene);2-fluoro-1,4-dimethylbenzene;2-methylfuran;3-methylpyridine
• PubChem CID: 159467309
• Molecular Formula: C70H82Br2Cl2FNO3S5
• Molecular Weight: 1395.48 g/mol
• Exact Mass: 1391.26
• IUPAC Name: 2-bromo-4-methylphenol;2-bromo-5-methylthiophene;2-chloro-1,4-dimethylbenzene;2-chloro-5-methylthiophene;2,4-dimethylphenol;2,3-dimethylthiophene;bis(2,5-dimethylthiophene);2-fluoro-1,4-dimethylbenzene;2-methylfuran;3-methylpyridine
• SMILES: Cc1ccc(Br)s1.Cc1ccc(C)c(Cl)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)s1.Cc1ccc(C)s1.Cc1ccc(Cl)s1.Cc1ccc(O)c(Br)c1.Cc1ccc(O)c(C)c1.Cc1cccnc1.Cc1ccco1.Cc1ccsc1C
• InChI: InChI=1S/C8H9Cl.C8H9F.C8H10O.C7H7BrO.C6H7N.3C6H8S.C5H5BrS.C5H5ClS.C5H6O/c2*1-6-3-4-7(2)8(9)5-6;1-6-3-4-8(9)7(2)5-6;1-5-2-3-7(9)6(8)4-5;1-6-3-2-4-7-5-6;1-5-3-4-7-6(5)2;2*1-5-3-4-6(2)7-5;2*1-4-2-3-5(6)7-4;1-5-3-2-4-6-5/h2*3-5H,1-2H3;3-5,9H,1-2H3;2-4,9H,1H3;2-5H,1H3;3*3-4H,1-2H3;2*2-3H,1H3;2-4H,1H3
• InChIKey: LVIVHTPVFXXRMR-UHFFFAOYSA-N
• XLogP: 25.47
• TPSA: 66.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1395.48
LogP ≤ 5	25.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methylphenol;2-bromo-5-methylthiophene;2-chloro-1,4-dimethylbenzene;2-chloro-5-methylthiophene;2,4-dimethylphenol;2,3-dimethylthiophene;bis(2,5-dimethylthiophene);2-fluoro-1,4-dimethylbenzene;2-methylfuran;3-methylpyridine?

The IUPAC name of 2-bromo-4-methylphenol;2-bromo-5-methylthiophene;2-chloro-1,4-dimethylbenzene;2-chloro-5-methylthiophene;2,4-dimethylphenol;2,3-dimethylthiophene;bis(2,5-dimethylthiophene);2-fluoro-1,4-dimethylbenzene;2-methylfuran;3-methylpyridine (CID 159467309) is 2-bromo-4-methylphenol;2-bromo-5-methylthiophene;2-chloro-1,4-dimethylbenzene;2-chloro-5-methylthiophene;2,4-dimethylphenol;2,3-dimethylthiophene;bis(2,5-dimethylthiophene);2-fluoro-1,4-dimethylbenzene;2-methylfuran;3-methylpyridine.

What is the SMILES notation for 2-bromo-4-methylphenol;2-bromo-5-methylthiophene;2-chloro-1,4-dimethylbenzene;2-chloro-5-methylthiophene;2,4-dimethylphenol;2,3-dimethylthiophene;bis(2,5-dimethylthiophene);2-fluoro-1,4-dimethylbenzene;2-methylfuran;3-methylpyridine?

The canonical SMILES for 2-bromo-4-methylphenol;2-bromo-5-methylthiophene;2-chloro-1,4-dimethylbenzene;2-chloro-5-methylthiophene;2,4-dimethylphenol;2,3-dimethylthiophene;bis(2,5-dimethylthiophene);2-fluoro-1,4-dimethylbenzene;2-methylfuran;3-methylpyridine is Cc1ccc(Br)s1.Cc1ccc(C)c(Cl)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)s1.Cc1ccc(C)s1.Cc1ccc(Cl)s1.Cc1ccc(O)c(Br)c1.Cc1ccc(O)c(C)c1.Cc1cccnc1.Cc1ccco1.Cc1ccsc1C.

What is the InChIKey of 2-bromo-4-methylphenol;2-bromo-5-methylthiophene;2-chloro-1,4-dimethylbenzene;2-chloro-5-methylthiophene;2,4-dimethylphenol;2,3-dimethylthiophene;bis(2,5-dimethylthiophene);2-fluoro-1,4-dimethylbenzene;2-methylfuran;3-methylpyridine?

The InChIKey is LVIVHTPVFXXRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl.C8H9F.C8H10O.C7H7BrO.C6H7N.3C6H8S.C5H5BrS.C5H5ClS.C5H6O/c2*1-6-3-4-7(2)8(9)5-6;1-6-3-4-8(9)7(2)5-6;1-5-2-3-7(9)6(8)4-5;1-6-3-2-4-7-5-6;1-5-3-4-7-6(5)2;2*1-5-3-4-6(2)7-5;2*1-4-2-3-5(6)7-4;1-5-3-2-4-6-5/h2*3-5H,1-2H3;3-5,9H,1-2H3;2-4,9H,1H3;2-5H,1H3;3*3-4H,1-2H3;2*2-3H,1H3;2-4H,1H3.

What are the key properties of 2-bromo-4-methylphenol;2-bromo-5-methylthiophene;2-chloro-1,4-dimethylbenzene;2-chloro-5-methylthiophene;2,4-dimethylphenol;2,3-dimethylthiophene;bis(2,5-dimethylthiophene);2-fluoro-1,4-dimethylbenzene;2-methylfuran;3-methylpyridine?

2-bromo-4-methylphenol;2-bromo-5-methylthiophene;2-chloro-1,4-dimethylbenzene;2-chloro-5-methylthiophene;2,4-dimethylphenol;2,3-dimethylthiophene;bis(2,5-dimethylthiophene);2-fluoro-1,4-dimethylbenzene;2-methylfuran;3-methylpyridine has a molecular weight of 1395.48 g/mol, XLogP of 25.47, 0 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-4-methylphenol;2-bromo-5-methylthiophene;2-chloro-1,4-dimethylbenzene;2-chloro-5-methylthiophene;2,4-dimethylphenol;2,3-dimethylthiophene;bis(2,5-dimethylthiophene);2-fluoro-1,4-dimethylbenzene;2-methylfuran;3-methylpyridine is sourced from PubChem (CID 159467309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).