2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole;ethane;7-methyl-4-(4-methylphenyl)-2,1,3-benzothiadiazole;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;3-methyl-4-(4-methylphenyl)thiophene;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene

C155H217N5O4S8 — CID 160761782

About 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole;ethane;7-methyl-4-(4-methylphenyl)-2,1,3-benzothiadiazole;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;3-methyl-4-(4-methylphenyl)thiophene;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene

2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole;ethane;7-methyl-4-(4-methylphenyl)-2,1,3-benzothiadiazole;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;3-methyl-4-(4-methylphenyl)thiophene;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene (PubChem CID 160761782) has the molecular formula C155H217N5O4S8 and a molecular weight of 2471.01 g/mol. Its IUPAC name is 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole;ethane;7-methyl-4-(4-methylphenyl)-2,1,3-benzothiadiazole;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;3-methyl-4-(4-methylphenyl)thiophene;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene.

Molecular Properties

• Compound Name: 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole;ethane;7-methyl-4-(4-methylphenyl)-2,1,3-benzothiadiazole;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;3-methyl-4-(4-methylphenyl)thiophene;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene
• PubChem CID: 160761782
• Molecular Formula: C155H217N5O4S8
• Molecular Weight: 2471.01 g/mol
• Exact Mass: 2468.47
• IUPAC Name: 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole;ethane;7-methyl-4-(4-methylphenyl)-2,1,3-benzothiadiazole;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;3-methyl-4-(4-methylphenyl)thiophene;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CC=C(c2ccc(C)cc2)C2OC(C)OC12.Cc1ccc(-c2c(C)sc3c(C)c(C)sc23)cc1.Cc1ccc(-c2ccc(C)c3nsnc23)cc1.Cc1ccc(-c2ccc(C)o2)cc1.Cc1ccc(-c2ccc3nc(C)oc3c2)cc1.Cc1ccc(-c2cscc2C)cc1.Cc1ccc(-c2nc(C)cs2)cc1.Cc1ccc(-c2ncc(C)s2)cc1.Cc1ccc(-c2sc3c(C)c(C)sc3c2C)cc1
• InChI: InChI=1S/C16H18O2.2C16H16S2.C15H13NO.C14H12N2S.C12H12O.C12H12S.2C11H11NS.16C2H6/c1-10-4-7-13(8-5-10)14-9-6-11(2)15-16(14)18-12(3)17-15;1-9-5-7-13(8-6-9)14-11(3)16-15(18-14)10(2)12(4)17-16;1-9-5-7-13(8-6-9)14-12(4)18-15-10(2)11(3)17-16(14)15;1-10-3-5-12(6-4-10)13-7-8-14-15(9-13)17-11(2)16-14;1-9-3-6-11(7-4-9)12-8-5-10(2)13-14(12)16-17-15-13;1-9-3-6-11(7-4-9)12-8-5-10(2)13-12;1-9-3-5-11(6-4-9)12-8-13-7-10(12)2;1-8-3-5-10(6-4-8)11-12-9(2)7-13-11;1-8-3-5-10(6-4-8)11-12-7-9(2)13-11;16*1-2/h4-9,12,15-16H,1-3H3;2*5-8H,1-4H3;3-9H,1-2H3;3-8H,1-2H3;2*3-8H,1-2H3;2*3-7H,1-2H3;16*1-2H3
• InChIKey: RYDXAUCESQEMMS-UHFFFAOYSA-N
• XLogP: 54.15
• TPSA: 109.19 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2471.01
LogP ≤ 5	54.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole;ethane;7-methyl-4-(4-methylphenyl)-2,1,3-benzothiadiazole;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;3-methyl-4-(4-methylphenyl)thiophene;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene?

The IUPAC name of 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole;ethane;7-methyl-4-(4-methylphenyl)-2,1,3-benzothiadiazole;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;3-methyl-4-(4-methylphenyl)thiophene;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene (CID 160761782) is 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole;ethane;7-methyl-4-(4-methylphenyl)-2,1,3-benzothiadiazole;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;3-methyl-4-(4-methylphenyl)thiophene;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene.

What is the SMILES notation for 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole;ethane;7-methyl-4-(4-methylphenyl)-2,1,3-benzothiadiazole;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;3-methyl-4-(4-methylphenyl)thiophene;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene?

The canonical SMILES for 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole;ethane;7-methyl-4-(4-methylphenyl)-2,1,3-benzothiadiazole;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;3-methyl-4-(4-methylphenyl)thiophene;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CC=C(c2ccc(C)cc2)C2OC(C)OC12.Cc1ccc(-c2c(C)sc3c(C)c(C)sc23)cc1.Cc1ccc(-c2ccc(C)c3nsnc23)cc1.Cc1ccc(-c2ccc(C)o2)cc1.Cc1ccc(-c2ccc3nc(C)oc3c2)cc1.Cc1ccc(-c2cscc2C)cc1.Cc1ccc(-c2nc(C)cs2)cc1.Cc1ccc(-c2ncc(C)s2)cc1.Cc1ccc(-c2sc3c(C)c(C)sc3c2C)cc1.

What is the InChIKey of 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole;ethane;7-methyl-4-(4-methylphenyl)-2,1,3-benzothiadiazole;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;3-methyl-4-(4-methylphenyl)thiophene;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene?

The InChIKey is RYDXAUCESQEMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2.2C16H16S2.C15H13NO.C14H12N2S.C12H12O.C12H12S.2C11H11NS.16C2H6/c1-10-4-7-13(8-5-10)14-9-6-11(2)15-16(14)18-12(3)17-15;1-9-5-7-13(8-6-9)14-11(3)16-15(18-14)10(2)12(4)17-16;1-9-5-7-13(8-6-9)14-12(4)18-15-10(2)11(3)17-16(14)15;1-10-3-5-12(6-4-10)13-7-8-14-15(9-13)17-11(2)16-14;1-9-3-6-11(7-4-9)12-8-5-10(2)13-14(12)16-17-15-13;1-9-3-6-11(7-4-9)12-8-5-10(2)13-12;1-9-3-5-11(6-4-9)12-8-13-7-10(12)2;1-8-3-5-10(6-4-8)11-12-9(2)7-13-11;1-8-3-5-10(6-4-8)11-12-7-9(2)13-11;16*1-2/h4-9,12,15-16H,1-3H3;2*5-8H,1-4H3;3-9H,1-2H3;3-8H,1-2H3;2*3-8H,1-2H3;2*3-7H,1-2H3;16*1-2H3.

What are the key properties of 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole;ethane;7-methyl-4-(4-methylphenyl)-2,1,3-benzothiadiazole;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;3-methyl-4-(4-methylphenyl)thiophene;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene?

2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole;ethane;7-methyl-4-(4-methylphenyl)-2,1,3-benzothiadiazole;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;3-methyl-4-(4-methylphenyl)thiophene;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene has a molecular weight of 2471.01 g/mol, XLogP of 54.15, 9 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole;ethane;7-methyl-4-(4-methylphenyl)-2,1,3-benzothiadiazole;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;3-methyl-4-(4-methylphenyl)thiophene;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene is sourced from PubChem (CID 160761782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).