2,6-dimethylnaphthalene;ethane;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-phenylbenzene;propane;1,3-xylene;bis(1,4-xylene)

C117H144OS — CID 158023236

About 2,6-dimethylnaphthalene;ethane;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-phenylbenzene;propane;1,3-xylene;bis(1,4-xylene)

2,6-dimethylnaphthalene;ethane;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-phenylbenzene;propane;1,3-xylene;bis(1,4-xylene) (PubChem CID 158023236) has the molecular formula C117H144OS and a molecular weight of 1598.50 g/mol. Its IUPAC name is 2,6-dimethylnaphthalene;ethane;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-phenylbenzene;propane;1,3-xylene;bis(1,4-xylene).

Molecular Properties

• Compound Name: 2,6-dimethylnaphthalene;ethane;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-phenylbenzene;propane;1,3-xylene;bis(1,4-xylene)
• PubChem CID: 158023236
• Molecular Formula: C117H144OS
• Molecular Weight: 1598.50 g/mol
• Exact Mass: 1597.09
• IUPAC Name: 2,6-dimethylnaphthalene;ethane;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-phenylbenzene;propane;1,3-xylene;bis(1,4-xylene)
• SMILES: C.C.C.CC.CCC.Cc1ccc(-c2ccccc2)cc1.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1ccc2cc(C)ccc2c1.Cc1cccc(C)c1
• InChI: InChI=1S/C17H20.C15H16.C14H14O.C14H14S.C13H12.C12H12.3C8H10.C3H8.C2H6.3CH4/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;2*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-9-3-5-12-8-10(2)4-6-11(12)7-9;2*1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-3-2;1-2;;;/h5-12H,1-4H3;3-10H,11H2,1-2H3;2*3-10H,1-2H3;2-10H,1H3;3-8H,1-2H3;3*3-6H,1-2H3;3H2,1-2H3;1-2H3;3*1H4
• InChIKey: FGHNAAPOVAHGMA-UHFFFAOYSA-N
• XLogP: 35.45
• TPSA: 9.23 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1598.50
LogP ≤ 5	35.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylnaphthalene;ethane;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-phenylbenzene;propane;1,3-xylene;bis(1,4-xylene)?

The IUPAC name of 2,6-dimethylnaphthalene;ethane;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-phenylbenzene;propane;1,3-xylene;bis(1,4-xylene) (CID 158023236) is 2,6-dimethylnaphthalene;ethane;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-phenylbenzene;propane;1,3-xylene;bis(1,4-xylene).

What is the SMILES notation for 2,6-dimethylnaphthalene;ethane;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-phenylbenzene;propane;1,3-xylene;bis(1,4-xylene)?

The canonical SMILES for 2,6-dimethylnaphthalene;ethane;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-phenylbenzene;propane;1,3-xylene;bis(1,4-xylene) is C.C.C.CC.CCC.Cc1ccc(-c2ccccc2)cc1.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1ccc2cc(C)ccc2c1.Cc1cccc(C)c1.

What is the InChIKey of 2,6-dimethylnaphthalene;ethane;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-phenylbenzene;propane;1,3-xylene;bis(1,4-xylene)?

The InChIKey is FGHNAAPOVAHGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20.C15H16.C14H14O.C14H14S.C13H12.C12H12.3C8H10.C3H8.C2H6.3CH4/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;2*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-9-3-5-12-8-10(2)4-6-11(12)7-9;2*1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-3-2;1-2;;;/h5-12H,1-4H3;3-10H,11H2,1-2H3;2*3-10H,1-2H3;2-10H,1H3;3-8H,1-2H3;3*3-6H,1-2H3;3H2,1-2H3;1-2H3;3*1H4.

What are the key properties of 2,6-dimethylnaphthalene;ethane;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-phenylbenzene;propane;1,3-xylene;bis(1,4-xylene)?

2,6-dimethylnaphthalene;ethane;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-phenylbenzene;propane;1,3-xylene;bis(1,4-xylene) has a molecular weight of 1598.50 g/mol, XLogP of 35.45, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethylnaphthalene;ethane;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-phenylbenzene;propane;1,3-xylene;bis(1,4-xylene) is sourced from PubChem (CID 158023236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).