2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione;4-methyl-5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;2-methyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene;3-[2-(4-methylphenyl)ethyl]benzamide;5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;6-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine;4-methyl-6-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1,3-benzodioxole;hexakis(propane-2-sulfinate)

C146H182N2O25S7-6 — CID 161127782

About 2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione;4-methyl-5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;2-methyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene;3-[2-(4-methylphenyl)ethyl]benzamide;5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;6-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine;4-methyl-6-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1,3-benzodioxole;hexakis(propane-2-sulfinate)

2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione;4-methyl-5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;2-methyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene;3-[2-(4-methylphenyl)ethyl]benzamide;5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;6-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine;4-methyl-6-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1,3-benzodioxole;hexakis(propane-2-sulfinate) (PubChem CID 161127782) has the molecular formula C146H182N2O25S7-6 and a molecular weight of 2589.52 g/mol. Its IUPAC name is 2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione;4-methyl-5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;2-methyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene;3-[2-(4-methylphenyl)ethyl]benzamide;5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;6-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine;4-methyl-6-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1,3-benzodioxole;hexakis(propane-2-sulfinate).

Molecular Properties

• Compound Name: 2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione;4-methyl-5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;2-methyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene;3-[2-(4-methylphenyl)ethyl]benzamide;5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;6-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine;4-methyl-6-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1,3-benzodioxole;hexakis(propane-2-sulfinate)
• PubChem CID: 161127782
• Molecular Formula: C146H182N2O25S7-6
• Molecular Weight: 2589.52 g/mol
• Exact Mass: 2587.11
• IUPAC Name: 2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione;4-methyl-5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;2-methyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene;3-[2-(4-methylphenyl)ethyl]benzamide;5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;6-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine;4-methyl-6-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1,3-benzodioxole;hexakis(propane-2-sulfinate)
• SMILES: CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].Cc1cc(CCc2ccc(CS(=O)(=O)C(C)C)cc2)cc2c1OCO2.Cc1ccc(CCc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1.Cc1ccc(CCc2ccc3c(c2)CC(C)C3)cc1.Cc1ccc(CCc2ccc3c(c2)OCCO3)cc1.Cc1ccc(CCc2ccc3c(c2)OCO3)cc1.Cc1ccc(CCc2ccc3c(c2C)OCO3)cc1.Cc1ccc(CCc2cccc(C(N)=O)c2)cc1
• InChI: InChI=1S/C23H25NO2.C20H24O4S.C19H22.2C17H18O2.C16H17NO.C16H16O2.6C3H8O2S/c1-16-7-9-17(10-8-16)11-12-18-13-14-20-21(15-18)23(26)24(22(20)25)19-5-3-2-4-6-19;1-14(2)25(21,22)12-17-7-4-16(5-8-17)6-9-18-10-15(3)20-19(11-18)23-13-24-20;1-14-3-5-16(6-4-14)7-8-17-9-10-18-11-15(2)12-19(18)13-17;1-12-3-5-14(6-4-12)7-8-15-9-10-16-17(13(15)2)19-11-18-16;1-13-2-4-14(5-3-13)6-7-15-8-9-16-17(12-15)19-11-10-18-16;1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(11-14)16(17)18;1-12-2-4-13(5-3-12)6-7-14-8-9-15-16(10-14)18-11-17-15;6*1-3(2)6(4)5/h7-10,13-15,19H,2-6,11-12H2,1H3;4-5,7-8,10-11,14H,6,9,12-13H2,1-3H3;3-6,9-10,13,15H,7-8,11-12H2,1-2H3;3-6,9-10H,7-8,11H2,1-2H3;2-5,8-9,12H,6-7,10-11H2,1H3;2-8,11H,9-10H2,1H3,(H2,17,18);2-5,8-10H,6-7,11H2,1H3;6*3H,1-2H3,(H,4,5)/p-6
• InChIKey: BHUIUXSRWNVTDU-UHFFFAOYSA-H
• XLogP: 28.46
• TPSA: 429.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 32
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2589.52
LogP ≤ 5	28.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione;4-methyl-5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;2-methyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene;3-[2-(4-methylphenyl)ethyl]benzamide;5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;6-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine;4-methyl-6-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1,3-benzodioxole;hexakis(propane-2-sulfinate)?

The IUPAC name of 2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione;4-methyl-5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;2-methyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene;3-[2-(4-methylphenyl)ethyl]benzamide;5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;6-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine;4-methyl-6-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1,3-benzodioxole;hexakis(propane-2-sulfinate) (CID 161127782) is 2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione;4-methyl-5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;2-methyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene;3-[2-(4-methylphenyl)ethyl]benzamide;5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;6-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine;4-methyl-6-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1,3-benzodioxole;hexakis(propane-2-sulfinate).

What is the SMILES notation for 2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione;4-methyl-5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;2-methyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene;3-[2-(4-methylphenyl)ethyl]benzamide;5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;6-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine;4-methyl-6-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1,3-benzodioxole;hexakis(propane-2-sulfinate)?

The canonical SMILES for 2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione;4-methyl-5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;2-methyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene;3-[2-(4-methylphenyl)ethyl]benzamide;5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;6-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine;4-methyl-6-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1,3-benzodioxole;hexakis(propane-2-sulfinate) is CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].Cc1cc(CCc2ccc(CS(=O)(=O)C(C)C)cc2)cc2c1OCO2.Cc1ccc(CCc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1.Cc1ccc(CCc2ccc3c(c2)CC(C)C3)cc1.Cc1ccc(CCc2ccc3c(c2)OCCO3)cc1.Cc1ccc(CCc2ccc3c(c2)OCO3)cc1.Cc1ccc(CCc2ccc3c(c2C)OCO3)cc1.Cc1ccc(CCc2cccc(C(N)=O)c2)cc1.

What is the InChIKey of 2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione;4-methyl-5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;2-methyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene;3-[2-(4-methylphenyl)ethyl]benzamide;5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;6-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine;4-methyl-6-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1,3-benzodioxole;hexakis(propane-2-sulfinate)?

The InChIKey is BHUIUXSRWNVTDU-UHFFFAOYSA-H. The full InChI is InChI=1S/C23H25NO2.C20H24O4S.C19H22.2C17H18O2.C16H17NO.C16H16O2.6C3H8O2S/c1-16-7-9-17(10-8-16)11-12-18-13-14-20-21(15-18)23(26)24(22(20)25)19-5-3-2-4-6-19;1-14(2)25(21,22)12-17-7-4-16(5-8-17)6-9-18-10-15(3)20-19(11-18)23-13-24-20;1-14-3-5-16(6-4-14)7-8-17-9-10-18-11-15(2)12-19(18)13-17;1-12-3-5-14(6-4-12)7-8-15-9-10-16-17(13(15)2)19-11-18-16;1-13-2-4-14(5-3-13)6-7-15-8-9-16-17(12-15)19-11-10-18-16;1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(11-14)16(17)18;1-12-2-4-13(5-3-12)6-7-14-8-9-15-16(10-14)18-11-17-15;6*1-3(2)6(4)5/h7-10,13-15,19H,2-6,11-12H2,1H3;4-5,7-8,10-11,14H,6,9,12-13H2,1-3H3;3-6,9-10,13,15H,7-8,11-12H2,1-2H3;3-6,9-10H,7-8,11H2,1-2H3;2-5,8-9,12H,6-7,10-11H2,1H3;2-8,11H,9-10H2,1H3,(H2,17,18);2-5,8-10H,6-7,11H2,1H3;6*3H,1-2H3,(H,4,5)/p-6.

What are the key properties of 2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione;4-methyl-5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;2-methyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene;3-[2-(4-methylphenyl)ethyl]benzamide;5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;6-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine;4-methyl-6-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1,3-benzodioxole;hexakis(propane-2-sulfinate)?

2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione;4-methyl-5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;2-methyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene;3-[2-(4-methylphenyl)ethyl]benzamide;5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;6-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine;4-methyl-6-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1,3-benzodioxole;hexakis(propane-2-sulfinate) has a molecular weight of 2589.52 g/mol, XLogP of 28.46, 32 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione;4-methyl-5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;2-methyl-5-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1H-indene;3-[2-(4-methylphenyl)ethyl]benzamide;5-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole;6-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine;4-methyl-6-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1,3-benzodioxole;hexakis(propane-2-sulfinate) is sourced from PubChem (CID 161127782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).