4-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;methane;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] 2-methoxyacetate;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione

C93H88N4O18 — CID 158700313

About 4-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;methane;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] 2-methoxyacetate;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione

4-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;methane;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] 2-methoxyacetate;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione (PubChem CID 158700313) has the molecular formula C93H88N4O18 and a molecular weight of 1549.74 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;methane;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] 2-methoxyacetate;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;methane;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] 2-methoxyacetate;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione
• PubChem CID: 158700313
• Molecular Formula: C93H88N4O18
• Molecular Weight: 1549.74 g/mol
• Exact Mass: 1548.61
• IUPAC Name: 4-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;methane;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] 2-methoxyacetate;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione
• SMILES: C.C=C1CCC(N2C(=O)c3cccc(OC(=O)COC)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OC4CCc5ccccc5C4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(Oc4ccc5c(c4)CCC5)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(Oc4ccc5c(c4)CCCC5)c3C2=O)C(=O)C1
• InChI: InChI=1S/2C25H23NO4.C24H21NO4.C18H17NO6.CH4/c2*1-15-9-12-20(21(27)13-15)26-24(28)19-7-4-8-22(23(19)25(26)29)30-18-11-10-16-5-2-3-6-17(16)14-18;1-14-8-11-19(20(26)12-14)25-23(27)18-6-3-7-21(22(18)24(25)28)29-17-10-9-15-4-2-5-16(15)13-17;1-10-6-7-12(13(20)8-10)19-17(22)11-4-3-5-14(16(11)18(19)23)25-15(21)9-24-2;/h4,7-8,10-11,14,20H,1-3,5-6,9,12-13H2;2-8,18,20H,1,9-14H2;3,6-7,9-10,13,19H,1-2,4-5,8,11-12H2;3-5,12H,1,6-9H2,2H3;1H4
• InChIKey: IHLOYGDVBUORCQ-UHFFFAOYSA-N
• XLogP: 14.92
• TPSA: 281.02 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1549.74
LogP ≤ 5	14.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;methane;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] 2-methoxyacetate;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione?

The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;methane;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] 2-methoxyacetate;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione (CID 158700313) is 4-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;methane;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] 2-methoxyacetate;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione.

What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;methane;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] 2-methoxyacetate;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione?

The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;methane;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] 2-methoxyacetate;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione is C.C=C1CCC(N2C(=O)c3cccc(OC(=O)COC)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OC4CCc5ccccc5C4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(Oc4ccc5c(c4)CCC5)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(Oc4ccc5c(c4)CCCC5)c3C2=O)C(=O)C1.

What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;methane;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] 2-methoxyacetate;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione?

The InChIKey is IHLOYGDVBUORCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H23NO4.C24H21NO4.C18H17NO6.CH4/c2*1-15-9-12-20(21(27)13-15)26-24(28)19-7-4-8-22(23(19)25(26)29)30-18-11-10-16-5-2-3-6-17(16)14-18;1-14-8-11-19(20(26)12-14)25-23(27)18-6-3-7-21(22(18)24(25)28)29-17-10-9-15-4-2-5-16(15)13-17;1-10-6-7-12(13(20)8-10)19-17(22)11-4-3-5-14(16(11)18(19)23)25-15(21)9-24-2;/h4,7-8,10-11,14,20H,1-3,5-6,9,12-13H2;2-8,18,20H,1,9-14H2;3,6-7,9-10,13,19H,1-2,4-5,8,11-12H2;3-5,12H,1,6-9H2,2H3;1H4.

What are the key properties of 4-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;methane;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] 2-methoxyacetate;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione?

4-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;methane;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] 2-methoxyacetate;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione has a molecular weight of 1549.74 g/mol, XLogP of 14.92, 13 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;methane;[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl] 2-methoxyacetate;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)isoindole-1,3-dione is sourced from PubChem (CID 158700313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).