4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-phenoxyisoindole-1,3-dione;4-(4-methoxyphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[(3-methyl-1-benzothiophen-2-yl)methoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-phenylethoxy)isoindole-1,3-dione

C142H124N6O26S — CID 158242038

IUPAC4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-phenoxyisoindole-1,3-dione;4-(4-methoxyphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[(3-methyl-1-benzothiophen-2-yl)methoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-phenylethoxy)isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(OCCc4ccc5ccccc5c4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OCCc4ccccc4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OCc4sc5ccccc5c4C)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(Oc4ccc(C(C)(C)C)cc4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(Oc4ccc(OC)cc4)c3C2=O)C(=O)C1.O=C1CCC(N2C(=O)c3cccc(Oc4ccccc4)c3C2=O)C(=O)C1
InChIInChI=1S/C27H23NO4.C25H21NO4S.C25H25NO4.C23H21NO4.C22H19NO5.C20H15NO5/c1-17-9-12-22(23(29)15-17)28-26(30)21-7-4-8-24(25(21)27(28)31)32-14-13-18-10-11-19-5-2-3-6-20(19)16-18;1-14-10-11-18(19(27)12-14)26-24(28)17-7-5-8-20(23(17)25(26)29)30-13-22-15(2)16-6-3-4-9-21(16)31-22;1-15-8-13-19(20(27)14-15)26-23(28)18-6-5-7-21(22(18)24(26)29)30-17-11-9-16(10-12-17)25(2,3)4;1-15-10-11-18(19(25)14-15)24-22(26)17-8-5-9-20(21(17)23(24)27)28-13-12-16-6-3-2-4-7-16;1-13-6-11-17(18(24)12-13)23-21(25)16-4-3-5-19(20(16)22(23)26)28-15-9-7-14(27-2)8-10-15;22-12-9-10-15(16(23)11-12)21-19(24)14-7-4-8-17(18(14)20(21)25)26-13-5-2-1-3-6-13/h2-8,10-11,16,22H,1,9,12-15H2;3-9,18H,1,10-13H2,2H3;5-7,9-12,19H,1,8,13-14H2,2-4H3;2-9,18H,1,10-14H2;3-5,7-10,17H,1,6,11-12H2,2H3;1-8,15H,9-11H2
InChIKeyGFQSSJRRWFKHGF-UHFFFAOYSA-N
MW2362.64 g/mol
LogP24.96
Rot. Bonds24

About 4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-phenoxyisoindole-1,3-dione;4-(4-methoxyphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[(3-methyl-1-benzothiophen-2-yl)methoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-phenylethoxy)isoindole-1,3-dione

4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-phenoxyisoindole-1,3-dione;4-(4-methoxyphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[(3-methyl-1-benzothiophen-2-yl)methoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-phenylethoxy)isoindole-1,3-dione (PubChem CID 158242038) has the molecular formula C142H124N6O26S and a molecular weight of 2362.64 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-phenoxyisoindole-1,3-dione;4-(4-methoxyphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[(3-methyl-1-benzothiophen-2-yl)methoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-phenylethoxy)isoindole-1,3-dione.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-phenoxyisoindole-1,3-dione;4-(4-methoxyphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[(3-methyl-1-benzothiophen-2-yl)methoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-phenylethoxy)isoindole-1,3-dione
PubChem CID158242038
Molecular FormulaC142H124N6O26S
Molecular Weight2362.64 g/mol
Exact Mass2360.83
IUPAC Name4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-phenoxyisoindole-1,3-dione;4-(4-methoxyphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[(3-methyl-1-benzothiophen-2-yl)methoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-phenylethoxy)isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(OCCc4ccc5ccccc5c4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OCCc4ccccc4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OCc4sc5ccccc5c4C)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(Oc4ccc(C(C)(C)C)cc4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(Oc4ccc(OC)cc4)c3C2=O)C(=O)C1.O=C1CCC(N2C(=O)c3cccc(Oc4ccccc4)c3C2=O)C(=O)C1
InChIInChI=1S/C27H23NO4.C25H21NO4S.C25H25NO4.C23H21NO4.C22H19NO5.C20H15NO5/c1-17-9-12-22(23(29)15-17)28-26(30)21-7-4-8-24(25(21)27(28)31)32-14-13-18-10-11-19-5-2-3-6-20(19)16-18;1-14-10-11-18(19(27)12-14)26-24(28)17-7-5-8-20(23(17)25(26)29)30-13-22-15(2)16-6-3-4-9-21(16)31-22;1-15-8-13-19(20(27)14-15)26-23(28)18-6-5-7-21(22(18)24(26)29)30-17-11-9-16(10-12-17)25(2,3)4;1-15-10-11-18(19(25)14-15)24-22(26)17-8-5-9-20(21(17)23(24)27)28-13-12-16-6-3-2-4-7-16;1-13-6-11-17(18(24)12-13)23-21(25)16-4-3-5-19(20(16)22(23)26)28-15-9-7-14(27-2)8-10-15;22-12-9-10-15(16(23)11-12)21-19(24)14-7-4-8-17(18(14)20(21)25)26-13-5-2-1-3-6-13/h2-8,10-11,16,22H,1,9,12-15H2;3-9,18H,1,10-13H2,2H3;5-7,9-12,19H,1,8,13-14H2,2-4H3;2-9,18H,1,10-14H2;3-5,7-10,17H,1,6,11-12H2,2H3;1-8,15H,9-11H2
InChIKeyGFQSSJRRWFKHGF-UHFFFAOYSA-N
XLogP24.96
TPSA408.38 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002362.64
LogP ≤ 524.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-phenoxyisoindole-1,3-dione;4-(4-methoxyphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[(3-methyl-1-benzothiophen-2-yl)methoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-phenylethoxy)isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-phenoxyisoindole-1,3-dione;4-(4-methoxyphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[(3-methyl-1-benzothiophen-2-yl)methoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-phenylethoxy)isoindole-1,3-dione?
The IUPAC name of 4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-phenoxyisoindole-1,3-dione;4-(4-methoxyphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[(3-methyl-1-benzothiophen-2-yl)methoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-phenylethoxy)isoindole-1,3-dione (CID 158242038) is 4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-phenoxyisoindole-1,3-dione;4-(4-methoxyphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[(3-methyl-1-benzothiophen-2-yl)methoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-phenylethoxy)isoindole-1,3-dione.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-phenoxyisoindole-1,3-dione;4-(4-methoxyphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[(3-methyl-1-benzothiophen-2-yl)methoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-phenylethoxy)isoindole-1,3-dione?
The canonical SMILES for 4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-phenoxyisoindole-1,3-dione;4-(4-methoxyphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[(3-methyl-1-benzothiophen-2-yl)methoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-phenylethoxy)isoindole-1,3-dione is C=C1CCC(N2C(=O)c3cccc(OCCc4ccc5ccccc5c4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OCCc4ccccc4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OCc4sc5ccccc5c4C)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(Oc4ccc(C(C)(C)C)cc4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(Oc4ccc(OC)cc4)c3C2=O)C(=O)C1.O=C1CCC(N2C(=O)c3cccc(Oc4ccccc4)c3C2=O)C(=O)C1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-phenoxyisoindole-1,3-dione;4-(4-methoxyphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[(3-methyl-1-benzothiophen-2-yl)methoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-phenylethoxy)isoindole-1,3-dione?
The InChIKey is GFQSSJRRWFKHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO4.C25H21NO4S.C25H25NO4.C23H21NO4.C22H19NO5.C20H15NO5/c1-17-9-12-22(23(29)15-17)28-26(30)21-7-4-8-24(25(21)27(28)31)32-14-13-18-10-11-19-5-2-3-6-20(19)16-18;1-14-10-11-18(19(27)12-14)26-24(28)17-7-5-8-20(23(17)25(26)29)30-13-22-15(2)16-6-3-4-9-21(16)31-22;1-15-8-13-19(20(27)14-15)26-23(28)18-6-5-7-21(22(18)24(26)29)30-17-11-9-16(10-12-17)25(2,3)4;1-15-10-11-18(19(25)14-15)24-22(26)17-8-5-9-20(21(17)23(24)27)28-13-12-16-6-3-2-4-7-16;1-13-6-11-17(18(24)12-13)23-21(25)16-4-3-5-19(20(16)22(23)26)28-15-9-7-14(27-2)8-10-15;22-12-9-10-15(16(23)11-12)21-19(24)14-7-4-8-17(18(14)20(21)25)26-13-5-2-1-3-6-13/h2-8,10-11,16,22H,1,9,12-15H2;3-9,18H,1,10-13H2,2H3;5-7,9-12,19H,1,8,13-14H2,2-4H3;2-9,18H,1,10-14H2;3-5,7-10,17H,1,6,11-12H2,2H3;1-8,15H,9-11H2.
What are the key properties of 4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-phenoxyisoindole-1,3-dione;4-(4-methoxyphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[(3-methyl-1-benzothiophen-2-yl)methoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-phenylethoxy)isoindole-1,3-dione?
4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-phenoxyisoindole-1,3-dione;4-(4-methoxyphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[(3-methyl-1-benzothiophen-2-yl)methoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-phenylethoxy)isoindole-1,3-dione has a molecular weight of 2362.64 g/mol, XLogP of 24.96, 24 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-phenoxyisoindole-1,3-dione;4-(4-methoxyphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-[(3-methyl-1-benzothiophen-2-yl)methoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-phenylethoxy)isoindole-1,3-dione is sourced from PubChem (CID 158242038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).