1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;bis(1,2,3,4,5,6-hexamethylbenzene);1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene;1-methyl-4-[4-(4-methylphenoxy)butoxy]benzene;1-methyl-4-[3-(4-methylphenoxy)propoxy]benzene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide

C138H170O10S — CID 165041948

About 1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;bis(1,2,3,4,5,6-hexamethylbenzene);1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene;1-methyl-4-[4-(4-methylphenoxy)butoxy]benzene;1-methyl-4-[3-(4-methylphenoxy)propoxy]benzene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide

1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;bis(1,2,3,4,5,6-hexamethylbenzene);1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene;1-methyl-4-[4-(4-methylphenoxy)butoxy]benzene;1-methyl-4-[3-(4-methylphenoxy)propoxy]benzene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide (PubChem CID 165041948) has the molecular formula C138H170O10S and a molecular weight of 2020.93 g/mol. Its IUPAC name is 1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;bis(1,2,3,4,5,6-hexamethylbenzene);1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene;1-methyl-4-[4-(4-methylphenoxy)butoxy]benzene;1-methyl-4-[3-(4-methylphenoxy)propoxy]benzene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide.

Molecular Properties

• Compound Name: 1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;bis(1,2,3,4,5,6-hexamethylbenzene);1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene;1-methyl-4-[4-(4-methylphenoxy)butoxy]benzene;1-methyl-4-[3-(4-methylphenoxy)propoxy]benzene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide
• PubChem CID: 165041948
• Molecular Formula: C138H170O10S
• Molecular Weight: 2020.93 g/mol
• Exact Mass: 2019.25
• IUPAC Name: 1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;bis(1,2,3,4,5,6-hexamethylbenzene);1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene;1-methyl-4-[4-(4-methylphenoxy)butoxy]benzene;1-methyl-4-[3-(4-methylphenoxy)propoxy]benzene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide
• SMILES: Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc2c(cc1C)S(=O)(=O)c1cc(C)c(C)cc1-2.Cc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(C)cc3)cc2)cc1.Cc1ccc(OCC(C)(C)COc2ccc(C)cc2)cc1.Cc1ccc(OCCCCOc2ccc(C)cc2)cc1.Cc1ccc(OCCCOc2ccc(C)cc2)cc1.Cc1cccc(OCCCCOc2cccc(C)c2)c1
• InChI: InChI=1S/C26H30.C19H24O2.2C18H22O2.C17H20O2.C16H16O2S.2C12H18/c1-19-7-11-21(12-8-19)25(3,4)23-15-17-24(18-16-23)26(5,6)22-13-9-20(2)10-14-22;1-15-5-9-17(10-6-15)20-13-19(3,4)14-21-18-11-7-16(2)8-12-18;1-15-5-9-17(10-6-15)19-13-3-4-14-20-18-11-7-16(2)8-12-18;1-15-7-5-9-17(13-15)19-11-3-4-12-20-18-10-6-8-16(2)14-18;1-14-4-8-16(9-5-14)18-12-3-13-19-17-10-6-15(2)7-11-17;1-9-5-13-14-6-10(2)12(4)8-16(14)19(17,18)15(13)7-11(9)3;2*1-7-8(2)10(4)12(6)11(5)9(7)3/h7-18H,1-6H3;5-12H,13-14H2,1-4H3;5-12H,3-4,13-14H2,1-2H3;5-10,13-14H,3-4,11-12H2,1-2H3;4-11H,3,12-13H2,1-2H3;5-8H,1-4H3;2*1-6H3
• InChIKey: OGPIGTACPVEKIU-UHFFFAOYSA-N
• XLogP: 35.78
• TPSA: 107.98 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 30
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2020.93
LogP ≤ 5	35.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;bis(1,2,3,4,5,6-hexamethylbenzene);1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene;1-methyl-4-[4-(4-methylphenoxy)butoxy]benzene;1-methyl-4-[3-(4-methylphenoxy)propoxy]benzene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide?

The IUPAC name of 1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;bis(1,2,3,4,5,6-hexamethylbenzene);1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene;1-methyl-4-[4-(4-methylphenoxy)butoxy]benzene;1-methyl-4-[3-(4-methylphenoxy)propoxy]benzene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide (CID 165041948) is 1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;bis(1,2,3,4,5,6-hexamethylbenzene);1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene;1-methyl-4-[4-(4-methylphenoxy)butoxy]benzene;1-methyl-4-[3-(4-methylphenoxy)propoxy]benzene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide.

What is the SMILES notation for 1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;bis(1,2,3,4,5,6-hexamethylbenzene);1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene;1-methyl-4-[4-(4-methylphenoxy)butoxy]benzene;1-methyl-4-[3-(4-methylphenoxy)propoxy]benzene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide?

The canonical SMILES for 1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;bis(1,2,3,4,5,6-hexamethylbenzene);1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene;1-methyl-4-[4-(4-methylphenoxy)butoxy]benzene;1-methyl-4-[3-(4-methylphenoxy)propoxy]benzene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide is Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc2c(cc1C)S(=O)(=O)c1cc(C)c(C)cc1-2.Cc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(C)cc3)cc2)cc1.Cc1ccc(OCC(C)(C)COc2ccc(C)cc2)cc1.Cc1ccc(OCCCCOc2ccc(C)cc2)cc1.Cc1ccc(OCCCOc2ccc(C)cc2)cc1.Cc1cccc(OCCCCOc2cccc(C)c2)c1.

What is the InChIKey of 1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;bis(1,2,3,4,5,6-hexamethylbenzene);1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene;1-methyl-4-[4-(4-methylphenoxy)butoxy]benzene;1-methyl-4-[3-(4-methylphenoxy)propoxy]benzene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide?

The InChIKey is OGPIGTACPVEKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30.C19H24O2.2C18H22O2.C17H20O2.C16H16O2S.2C12H18/c1-19-7-11-21(12-8-19)25(3,4)23-15-17-24(18-16-23)26(5,6)22-13-9-20(2)10-14-22;1-15-5-9-17(10-6-15)20-13-19(3,4)14-21-18-11-7-16(2)8-12-18;1-15-5-9-17(10-6-15)19-13-3-4-14-20-18-11-7-16(2)8-12-18;1-15-7-5-9-17(13-15)19-11-3-4-12-20-18-10-6-8-16(2)14-18;1-14-4-8-16(9-5-14)18-12-3-13-19-17-10-6-15(2)7-11-17;1-9-5-13-14-6-10(2)12(4)8-16(14)19(17,18)15(13)7-11(9)3;2*1-7-8(2)10(4)12(6)11(5)9(7)3/h7-18H,1-6H3;5-12H,13-14H2,1-4H3;5-12H,3-4,13-14H2,1-2H3;5-10,13-14H,3-4,11-12H2,1-2H3;4-11H,3,12-13H2,1-2H3;5-8H,1-4H3;2*1-6H3.

What are the key properties of 1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;bis(1,2,3,4,5,6-hexamethylbenzene);1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene;1-methyl-4-[4-(4-methylphenoxy)butoxy]benzene;1-methyl-4-[3-(4-methylphenoxy)propoxy]benzene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide?

1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;bis(1,2,3,4,5,6-hexamethylbenzene);1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene;1-methyl-4-[4-(4-methylphenoxy)butoxy]benzene;1-methyl-4-[3-(4-methylphenoxy)propoxy]benzene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide has a molecular weight of 2020.93 g/mol, XLogP of 35.78, 30 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;bis(1,2,3,4,5,6-hexamethylbenzene);1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene;1-methyl-4-[4-(4-methylphenoxy)butoxy]benzene;1-methyl-4-[3-(4-methylphenoxy)propoxy]benzene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide is sourced from PubChem (CID 165041948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).