2-chloro-1,4-dimethylnaphthalene;1,3-dichloro-2,5-dimethylbenzene;1,4-dimethylnaphthalene;1,4-dimethyl-2-(trifluoromethyl)benzene;2-fluoro-1,4-dimethylnaphthalene;methane;bis(2-methoxy-1,4-dimethylnaphthalene);bis(6-methyl-1,2,3,4-tetrahydronaphthalene);bis(1,2,4-trimethylbenzene);bis(1,2,4-trimethylnaphthalene)

C146H163Cl3F4O2 — CID 157164213

About 2-chloro-1,4-dimethylnaphthalene;1,3-dichloro-2,5-dimethylbenzene;1,4-dimethylnaphthalene;1,4-dimethyl-2-(trifluoromethyl)benzene;2-fluoro-1,4-dimethylnaphthalene;methane;bis(2-methoxy-1,4-dimethylnaphthalene);bis(6-methyl-1,2,3,4-tetrahydronaphthalene);bis(1,2,4-trimethylbenzene);bis(1,2,4-trimethylnaphthalene)

2-chloro-1,4-dimethylnaphthalene;1,3-dichloro-2,5-dimethylbenzene;1,4-dimethylnaphthalene;1,4-dimethyl-2-(trifluoromethyl)benzene;2-fluoro-1,4-dimethylnaphthalene;methane;bis(2-methoxy-1,4-dimethylnaphthalene);bis(6-methyl-1,2,3,4-tetrahydronaphthalene);bis(1,2,4-trimethylbenzene);bis(1,2,4-trimethylnaphthalene) (PubChem CID 157164213) has the molecular formula C146H163Cl3F4O2 and a molecular weight of 2132.26 g/mol. Its IUPAC name is 2-chloro-1,4-dimethylnaphthalene;1,3-dichloro-2,5-dimethylbenzene;1,4-dimethylnaphthalene;1,4-dimethyl-2-(trifluoromethyl)benzene;2-fluoro-1,4-dimethylnaphthalene;methane;bis(2-methoxy-1,4-dimethylnaphthalene);bis(6-methyl-1,2,3,4-tetrahydronaphthalene);bis(1,2,4-trimethylbenzene);bis(1,2,4-trimethylnaphthalene).

Molecular Properties

• Compound Name: 2-chloro-1,4-dimethylnaphthalene;1,3-dichloro-2,5-dimethylbenzene;1,4-dimethylnaphthalene;1,4-dimethyl-2-(trifluoromethyl)benzene;2-fluoro-1,4-dimethylnaphthalene;methane;bis(2-methoxy-1,4-dimethylnaphthalene);bis(6-methyl-1,2,3,4-tetrahydronaphthalene);bis(1,2,4-trimethylbenzene);bis(1,2,4-trimethylnaphthalene)
• PubChem CID: 157164213
• Molecular Formula: C146H163Cl3F4O2
• Molecular Weight: 2132.26 g/mol
• Exact Mass: 2129.17
• IUPAC Name: 2-chloro-1,4-dimethylnaphthalene;1,3-dichloro-2,5-dimethylbenzene;1,4-dimethylnaphthalene;1,4-dimethyl-2-(trifluoromethyl)benzene;2-fluoro-1,4-dimethylnaphthalene;methane;bis(2-methoxy-1,4-dimethylnaphthalene);bis(6-methyl-1,2,3,4-tetrahydronaphthalene);bis(1,2,4-trimethylbenzene);bis(1,2,4-trimethylnaphthalene)
• SMILES: C.COc1cc(C)c2ccccc2c1C.COc1cc(C)c2ccccc2c1C.Cc1cc(C)c2ccccc2c1C.Cc1cc(C)c2ccccc2c1C.Cc1cc(Cl)c(C)c(Cl)c1.Cc1cc(Cl)c(C)c2ccccc12.Cc1cc(F)c(C)c2ccccc12.Cc1ccc(C)c(C(F)(F)F)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c2ccccc12.Cc1ccc2c(c1)CCCC2.Cc1ccc2c(c1)CCCC2
• InChI: InChI=1S/2C13H14O.2C13H14.C12H11Cl.C12H11F.C12H12.2C11H14.C9H9F3.2C9H12.C8H8Cl2.CH4/c2*1-9-8-13(14-3)10(2)12-7-5-4-6-11(9)12;2*1-9-8-10(2)12-6-4-5-7-13(12)11(9)3;2*1-8-7-12(13)9(2)11-6-4-3-5-10(8)11;1-9-7-8-10(2)12-6-4-3-5-11(9)12;2*1-9-6-7-10-4-2-3-5-11(10)8-9;1-6-3-4-7(2)8(5-6)9(10,11)12;2*1-7-4-5-8(2)9(3)6-7;1-5-3-7(9)6(2)8(10)4-5;/h2*4-8H,1-3H3;2*4-8H,1-3H3;2*3-7H,1-2H3;3-8H,1-2H3;2*6-8H,2-5H2,1H3;3-5H,1-2H3;2*4-6H,1-3H3;3-4H,1-2H3;1H4
• InChIKey: AMSJELBPHAMAQJ-UHFFFAOYSA-N
• XLogP: 44.16
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2132.26
LogP ≤ 5	44.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,4-dimethylnaphthalene;1,3-dichloro-2,5-dimethylbenzene;1,4-dimethylnaphthalene;1,4-dimethyl-2-(trifluoromethyl)benzene;2-fluoro-1,4-dimethylnaphthalene;methane;bis(2-methoxy-1,4-dimethylnaphthalene);bis(6-methyl-1,2,3,4-tetrahydronaphthalene);bis(1,2,4-trimethylbenzene);bis(1,2,4-trimethylnaphthalene)?

The IUPAC name of 2-chloro-1,4-dimethylnaphthalene;1,3-dichloro-2,5-dimethylbenzene;1,4-dimethylnaphthalene;1,4-dimethyl-2-(trifluoromethyl)benzene;2-fluoro-1,4-dimethylnaphthalene;methane;bis(2-methoxy-1,4-dimethylnaphthalene);bis(6-methyl-1,2,3,4-tetrahydronaphthalene);bis(1,2,4-trimethylbenzene);bis(1,2,4-trimethylnaphthalene) (CID 157164213) is 2-chloro-1,4-dimethylnaphthalene;1,3-dichloro-2,5-dimethylbenzene;1,4-dimethylnaphthalene;1,4-dimethyl-2-(trifluoromethyl)benzene;2-fluoro-1,4-dimethylnaphthalene;methane;bis(2-methoxy-1,4-dimethylnaphthalene);bis(6-methyl-1,2,3,4-tetrahydronaphthalene);bis(1,2,4-trimethylbenzene);bis(1,2,4-trimethylnaphthalene).

What is the SMILES notation for 2-chloro-1,4-dimethylnaphthalene;1,3-dichloro-2,5-dimethylbenzene;1,4-dimethylnaphthalene;1,4-dimethyl-2-(trifluoromethyl)benzene;2-fluoro-1,4-dimethylnaphthalene;methane;bis(2-methoxy-1,4-dimethylnaphthalene);bis(6-methyl-1,2,3,4-tetrahydronaphthalene);bis(1,2,4-trimethylbenzene);bis(1,2,4-trimethylnaphthalene)?

The canonical SMILES for 2-chloro-1,4-dimethylnaphthalene;1,3-dichloro-2,5-dimethylbenzene;1,4-dimethylnaphthalene;1,4-dimethyl-2-(trifluoromethyl)benzene;2-fluoro-1,4-dimethylnaphthalene;methane;bis(2-methoxy-1,4-dimethylnaphthalene);bis(6-methyl-1,2,3,4-tetrahydronaphthalene);bis(1,2,4-trimethylbenzene);bis(1,2,4-trimethylnaphthalene) is C.COc1cc(C)c2ccccc2c1C.COc1cc(C)c2ccccc2c1C.Cc1cc(C)c2ccccc2c1C.Cc1cc(C)c2ccccc2c1C.Cc1cc(Cl)c(C)c(Cl)c1.Cc1cc(Cl)c(C)c2ccccc12.Cc1cc(F)c(C)c2ccccc12.Cc1ccc(C)c(C(F)(F)F)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c2ccccc12.Cc1ccc2c(c1)CCCC2.Cc1ccc2c(c1)CCCC2.

What is the InChIKey of 2-chloro-1,4-dimethylnaphthalene;1,3-dichloro-2,5-dimethylbenzene;1,4-dimethylnaphthalene;1,4-dimethyl-2-(trifluoromethyl)benzene;2-fluoro-1,4-dimethylnaphthalene;methane;bis(2-methoxy-1,4-dimethylnaphthalene);bis(6-methyl-1,2,3,4-tetrahydronaphthalene);bis(1,2,4-trimethylbenzene);bis(1,2,4-trimethylnaphthalene)?

The InChIKey is AMSJELBPHAMAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H14O.2C13H14.C12H11Cl.C12H11F.C12H12.2C11H14.C9H9F3.2C9H12.C8H8Cl2.CH4/c2*1-9-8-13(14-3)10(2)12-7-5-4-6-11(9)12;2*1-9-8-10(2)12-6-4-5-7-13(12)11(9)3;2*1-8-7-12(13)9(2)11-6-4-3-5-10(8)11;1-9-7-8-10(2)12-6-4-3-5-11(9)12;2*1-9-6-7-10-4-2-3-5-11(10)8-9;1-6-3-4-7(2)8(5-6)9(10,11)12;2*1-7-4-5-8(2)9(3)6-7;1-5-3-7(9)6(2)8(10)4-5;/h2*4-8H,1-3H3;2*4-8H,1-3H3;2*3-7H,1-2H3;3-8H,1-2H3;2*6-8H,2-5H2,1H3;3-5H,1-2H3;2*4-6H,1-3H3;3-4H,1-2H3;1H4.

What are the key properties of 2-chloro-1,4-dimethylnaphthalene;1,3-dichloro-2,5-dimethylbenzene;1,4-dimethylnaphthalene;1,4-dimethyl-2-(trifluoromethyl)benzene;2-fluoro-1,4-dimethylnaphthalene;methane;bis(2-methoxy-1,4-dimethylnaphthalene);bis(6-methyl-1,2,3,4-tetrahydronaphthalene);bis(1,2,4-trimethylbenzene);bis(1,2,4-trimethylnaphthalene)?

2-chloro-1,4-dimethylnaphthalene;1,3-dichloro-2,5-dimethylbenzene;1,4-dimethylnaphthalene;1,4-dimethyl-2-(trifluoromethyl)benzene;2-fluoro-1,4-dimethylnaphthalene;methane;bis(2-methoxy-1,4-dimethylnaphthalene);bis(6-methyl-1,2,3,4-tetrahydronaphthalene);bis(1,2,4-trimethylbenzene);bis(1,2,4-trimethylnaphthalene) has a molecular weight of 2132.26 g/mol, XLogP of 44.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1,4-dimethylnaphthalene;1,3-dichloro-2,5-dimethylbenzene;1,4-dimethylnaphthalene;1,4-dimethyl-2-(trifluoromethyl)benzene;2-fluoro-1,4-dimethylnaphthalene;methane;bis(2-methoxy-1,4-dimethylnaphthalene);bis(6-methyl-1,2,3,4-tetrahydronaphthalene);bis(1,2,4-trimethylbenzene);bis(1,2,4-trimethylnaphthalene) is sourced from PubChem (CID 157164213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).