4-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;methane;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

C75H71N3O12 — CID 158526925

About 4-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;methane;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)-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 158526925) has the molecular formula C75H71N3O12 and a molecular weight of 1206.40 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)-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)-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: 158526925
• Molecular Formula: C75H71N3O12
• Molecular Weight: 1206.40 g/mol
• Exact Mass: 1205.50
• 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)-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(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.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;/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;1H4
• InChIKey: HMWXBFIRYFDWMW-UHFFFAOYSA-N
• XLogP: 13.41
• TPSA: 191.04 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1206.40
LogP ≤ 5	13.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', '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)-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)-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 158526925) is 4-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;methane;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)-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)-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(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)-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 HMWXBFIRYFDWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H23NO4.C24H21NO4.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;/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;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)-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)-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 1206.40 g/mol, XLogP of 13.41, 9 rotatable bonds, 0 hydrogen bond donors, and 12 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)-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 158526925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).