2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2-methylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-1,3-thiazole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);1,2,4-trimethylbenzene;1,4-xylene — IUPAC name, SMILES, InChIKey & properties

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About 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2-methylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-1,3-thiazole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);1,2,4-trimethylbenzene;1,4-xylene

2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2-methylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-1,3-thiazole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);1,2,4-trimethylbenzene;1,4-xylene (PubChem CID 158580734) has the molecular formula C155H214BrCl3F7N9OS4 and a molecular weight of 2667.00 g/mol. Its IUPAC name is 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2-methylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-1,3-thiazole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);1,2,4-trimethylbenzene;1,4-xylene.

Molecular Properties

Compound Name	2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2-methylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-1,3-thiazole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);1,2,4-trimethylbenzene;1,4-xylene
PubChem CID	158580734
Molecular Formula	C155H214BrCl3F7N9OS4
Molecular Weight	2667.00 g/mol
Exact Mass	2662.40
IUPAC Name	2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2-methylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-1,3-thiazole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);1,2,4-trimethylbenzene;1,4-xylene
SMILES	CC1=CCC(C)=C1.CC1CCC(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1.Cc1c(F)cccc1Cl.Cc1c[nH]c(C)c1.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)cc1F.Cc1ccc(C)c(Br)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(Cl)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1cnc(C)nc1.Cc1coc(C)c1.Cc1csc(C)c1.Cc1csc(C)c1.Cc1csc(C)c1Cl.Cc1csc(C)n1
InChI	InChI=1S/C9H12.C8H9Br.C8H9Cl.2C8H8F2.2C8H9F.C8H16.C8H10.C7H6ClF.2C7H15N.C7H9N.C7H10.C6H7ClS.C6H14N2.C6H8N2.C6H9N.C6H8O.2C6H8S.C5H7NS/c1-7-4-5-8(2)9(3)6-7;21-6-3-4-7(2)8(9)5-6;1-5-3-8(10)6(2)4-7(5)9;1-5-3-7(9)6(2)8(10)4-5;21-6-3-4-7(2)8(9)5-6;21-7-3-5-8(2)6-4-7;1-5-6(8)3-2-4-7(5)9;21-7-3-5-8(2)6-4-7;1-6-3-4-7(2)8-5-6;1-6-3-4-7(2)5-6;1-4-3-8-5(2)6(4)7;1-7-3-5-8(2)6-4-7;1-5-3-7-6(2)8-4-5;41-5-3-6(2)7-4-5;1-4-3-7-5(2)6-4/h4-6H,1-3H3;23-5H,1-2H3;23-4H,1-2H3;23-5H,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;2-4H,1H3;27H,3-6H2,1-2H3;3-5H,1-2H3;3,5H,4H2,1-2H3;3H,1-2H3;3-6H2,1-2H3;3-4H,1-2H3;3-4,7H,1-2H3;33-4H,1-2H3;3H,1-2H3
InChIKey	HTFLXBQMFNEXSU-UHFFFAOYSA-N
XLogP	47.28
TPSA	93.45 Å²
H-Bond Donors	1
H-Bond Acceptors	13
Rotatable Bonds
Heavy Atoms	180
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2667.00
LogP ≤ 5	47.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Analyze 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2-methylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-1,3-thiazole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);1,2,4-trimethylbenzene;1,4-xylene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2-methylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-1,3-thiazole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);1,2,4-trimethylbenzene;1,4-xylene?

The IUPAC name of 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2-methylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-1,3-thiazole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);1,2,4-trimethylbenzene;1,4-xylene (CID 158580734) is 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2-methylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-1,3-thiazole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);1,2,4-trimethylbenzene;1,4-xylene.

What is the SMILES notation for 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2-methylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-1,3-thiazole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);1,2,4-trimethylbenzene;1,4-xylene?

The canonical SMILES for 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2-methylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-1,3-thiazole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);1,2,4-trimethylbenzene;1,4-xylene is CC1=CCC(C)=C1.CC1CCC(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1.Cc1c(F)cccc1Cl.Cc1c[nH]c(C)c1.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)cc1F.Cc1ccc(C)c(Br)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(Cl)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1cnc(C)nc1.Cc1coc(C)c1.Cc1csc(C)c1.Cc1csc(C)c1.Cc1csc(C)c1Cl.Cc1csc(C)n1.

What is the InChIKey of 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2-methylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-1,3-thiazole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);1,2,4-trimethylbenzene;1,4-xylene?

The InChIKey is HTFLXBQMFNEXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C8H9Br.C8H9Cl.2C8H8F2.2C8H9F.C8H16.C8H10.C7H6ClF.2C7H15N.C7H9N.C7H10.C6H7ClS.C6H14N2.C6H8N2.C6H9N.C6H8O.2C6H8S.C5H7NS/c1-7-4-5-8(2)9(3)6-7;2*1-6-3-4-7(2)8(9)5-6;1-5-3-8(10)6(2)4-7(5)9;1-5-3-7(9)6(2)8(10)4-5;2*1-6-3-4-7(2)8(9)5-6;2*1-7-3-5-8(2)6-4-7;1-5-6(8)3-2-4-7(5)9;2*1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)8-5-6;1-6-3-4-7(2)5-6;1-4-3-8-5(2)6(4)7;1-7-3-5-8(2)6-4-7;1-5-3-7-6(2)8-4-5;4*1-5-3-6(2)7-4-5;1-4-3-7-5(2)6-4/h4-6H,1-3H3;2*3-5H,1-2H3;2*3-4H,1-2H3;2*3-5H,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;2-4H,1H3;2*7H,3-6H2,1-2H3;3-5H,1-2H3;3,5H,4H2,1-2H3;3H,1-2H3;3-6H2,1-2H3;3-4H,1-2H3;3-4,7H,1-2H3;3*3-4H,1-2H3;3H,1-2H3.

What are the key properties of 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2-methylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-1,3-thiazole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);1,2,4-trimethylbenzene;1,4-xylene?

Where does this data come from?

All data for 2-bromo-1,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;3-chloro-2,4-dimethylthiophene;1-chloro-3-fluoro-2-methylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;2,4-dimethylfuran;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,4-dimethyl-1H-pyrrole;2,4-dimethyl-1,3-thiazole;bis(2,4-dimethylthiophene);bis(2-fluoro-1,4-dimethylbenzene);1,2,4-trimethylbenzene;1,4-xylene is sourced from PubChem (CID 158580734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).