4-(3-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-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-(4-propan-2-ylphenoxy)isoindole-1,3-dione

C148H136N6O25S — CID 158539184

IUPAC4-(3-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-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-(4-propan-2-ylphenoxy)isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(OCCc4ccc5ccccc5c4)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(C(C)C)cc4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(Oc4ccc(OC)cc4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(Oc4cccc(C(C)(C)C)c4)c3C2=O)C(=O)C1
InChIInChI=1S/C27H23NO4.C25H21NO4S.2C25H25NO4.C24H23NO4.C22H19NO5/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;1-15-11-12-19(20(27)13-15)26-23(28)18-9-6-10-21(22(18)24(26)29)30-17-8-5-7-16(14-17)25(2,3)4;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;1-14(2)16-8-10-17(11-9-16)29-21-6-4-5-18-22(21)24(28)25(23(18)27)19-12-7-15(3)13-20(19)26;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/h2-8,10-11,16,22H,1,9,12-15H2;3-9,18H,1,10-13H2,2H3;5-10,14,19H,1,11-13H2,2-4H3;5-7,9-12,19H,1,8,13-14H2,2-4H3;4-6,8-11,14,19H,3,7,12-13H2,1-2H3;3-5,7-10,17H,1,6,11-12H2,2H3
InChIKeyHOHSKPISJCXFOH-UHFFFAOYSA-N
MW2430.80 g/mol
LogP28.54
Rot. Bonds23

About 4-(3-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-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-(4-propan-2-ylphenoxy)isoindole-1,3-dione

4-(3-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-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-(4-propan-2-ylphenoxy)isoindole-1,3-dione (PubChem CID 158539184) has the molecular formula C148H136N6O25S and a molecular weight of 2430.80 g/mol. Its IUPAC name is 4-(3-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-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-(4-propan-2-ylphenoxy)isoindole-1,3-dione.

Molecular Properties

Compound Name4-(3-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-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-(4-propan-2-ylphenoxy)isoindole-1,3-dione
PubChem CID158539184
Molecular FormulaC148H136N6O25S
Molecular Weight2430.80 g/mol
Exact Mass2428.93
IUPAC Name4-(3-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-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-(4-propan-2-ylphenoxy)isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(OCCc4ccc5ccccc5c4)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(C(C)C)cc4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(Oc4ccc(OC)cc4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(Oc4cccc(C(C)(C)C)c4)c3C2=O)C(=O)C1
InChIInChI=1S/C27H23NO4.C25H21NO4S.2C25H25NO4.C24H23NO4.C22H19NO5/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;1-15-11-12-19(20(27)13-15)26-23(28)18-9-6-10-21(22(18)24(26)29)30-17-8-5-7-16(14-17)25(2,3)4;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;1-14(2)16-8-10-17(11-9-16)29-21-6-4-5-18-22(21)24(28)25(23(18)27)19-12-7-15(3)13-20(19)26;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/h2-8,10-11,16,22H,1,9,12-15H2;3-9,18H,1,10-13H2,2H3;5-10,14,19H,1,11-13H2,2-4H3;5-7,9-12,19H,1,8,13-14H2,2-4H3;4-6,8-11,14,19H,3,7,12-13H2,1-2H3;3-5,7-10,17H,1,6,11-12H2,2H3
InChIKeyHOHSKPISJCXFOH-UHFFFAOYSA-N
XLogP28.54
TPSA391.31 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002430.80
LogP ≤ 528.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 4-(3-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-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-(4-propan-2-ylphenoxy)isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-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-(4-propan-2-ylphenoxy)isoindole-1,3-dione?
The IUPAC name of 4-(3-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-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-(4-propan-2-ylphenoxy)isoindole-1,3-dione (CID 158539184) is 4-(3-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-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-(4-propan-2-ylphenoxy)isoindole-1,3-dione.
What is the SMILES notation for 4-(3-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-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-(4-propan-2-ylphenoxy)isoindole-1,3-dione?
The canonical SMILES for 4-(3-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-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-(4-propan-2-ylphenoxy)isoindole-1,3-dione is C=C1CCC(N2C(=O)c3cccc(OCCc4ccc5ccccc5c4)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(C(C)C)cc4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(Oc4ccc(OC)cc4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(Oc4cccc(C(C)(C)C)c4)c3C2=O)C(=O)C1.
What is the InChIKey of 4-(3-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-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-(4-propan-2-ylphenoxy)isoindole-1,3-dione?
The InChIKey is HOHSKPISJCXFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO4.C25H21NO4S.2C25H25NO4.C24H23NO4.C22H19NO5/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;1-15-11-12-19(20(27)13-15)26-23(28)18-9-6-10-21(22(18)24(26)29)30-17-8-5-7-16(14-17)25(2,3)4;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;1-14(2)16-8-10-17(11-9-16)29-21-6-4-5-18-22(21)24(28)25(23(18)27)19-12-7-15(3)13-20(19)26;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/h2-8,10-11,16,22H,1,9,12-15H2;3-9,18H,1,10-13H2,2H3;5-10,14,19H,1,11-13H2,2-4H3;5-7,9-12,19H,1,8,13-14H2,2-4H3;4-6,8-11,14,19H,3,7,12-13H2,1-2H3;3-5,7-10,17H,1,6,11-12H2,2H3.
What are the key properties of 4-(3-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-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-(4-propan-2-ylphenoxy)isoindole-1,3-dione?
4-(3-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-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-(4-propan-2-ylphenoxy)isoindole-1,3-dione has a molecular weight of 2430.80 g/mol, XLogP of 28.54, 23 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;4-(4-tert-butylphenoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-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-(4-propan-2-ylphenoxy)isoindole-1,3-dione is sourced from PubChem (CID 158539184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).