2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione;2-[(4-methylphenyl)methoxy]isoindole-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;2-[[4-(trifluoromethyl)phenyl]methoxy]isoindole-1,3-dione

C98H73F3N6O20 — CID 54344846

IUPAC2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione;2-[(4-methylphenyl)methoxy]isoindole-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;2-[[4-(trifluoromethyl)phenyl]methoxy]isoindole-1,3-dione
SMILESCOc1ccc(CON2C(=O)c3ccccc3C2=O)c2ccccc12.COc1ccc(CON2C(=O)c3ccccc3C2=O)cc1.Cc1ccc(CON2C(=O)c3ccccc3C2=O)cc1.O=C1C=CC(=O)N1OCc1ccccc1.O=C1c2ccccc2C(=O)N1OCc1ccc(C(F)(F)F)cc1.O=C1c2ccccc2C(=O)N1OCc1cccc2ccccc12
InChIInChI=1S/C20H15NO4.C19H13NO3.C16H10F3NO3.C16H13NO4.C16H13NO3.C11H9NO3/c1-24-18-11-10-13(14-6-2-3-7-15(14)18)12-25-21-19(22)16-8-4-5-9-17(16)20(21)23;21-18-16-10-3-4-11-17(16)19(22)20(18)23-12-14-8-5-7-13-6-1-2-9-15(13)14;17-16(18,19)11-7-5-10(6-8-11)9-23-20-14(21)12-3-1-2-4-13(12)15(20)22;1-20-12-8-6-11(7-9-12)10-21-17-15(18)13-4-2-3-5-14(13)16(17)19;1-11-6-8-12(9-7-11)10-20-17-15(18)13-4-2-3-5-14(13)16(17)19;13-10-6-7-11(14)12(10)15-8-9-4-2-1-3-5-9/h2-11H,12H2,1H3;1-11H,12H2;1-8H,9H2;2-9H,10H2,1H3;2-9H,10H2,1H3;1-7H,8H2
InChIKeyUBOWKUIPOOBKTI-UHFFFAOYSA-N
MW1711.68 g/mol
LogP16.77
Rot. Bonds20

About 2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione;2-[(4-methylphenyl)methoxy]isoindole-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;2-[[4-(trifluoromethyl)phenyl]methoxy]isoindole-1,3-dione

2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione;2-[(4-methylphenyl)methoxy]isoindole-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;2-[[4-(trifluoromethyl)phenyl]methoxy]isoindole-1,3-dione (PubChem CID 54344846) has the molecular formula C98H73F3N6O20 and a molecular weight of 1711.68 g/mol. Its IUPAC name is 2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione;2-[(4-methylphenyl)methoxy]isoindole-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;2-[[4-(trifluoromethyl)phenyl]methoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione;2-[(4-methylphenyl)methoxy]isoindole-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;2-[[4-(trifluoromethyl)phenyl]methoxy]isoindole-1,3-dione
PubChem CID54344846
Molecular FormulaC98H73F3N6O20
Molecular Weight1711.68 g/mol
Exact Mass1710.48
IUPAC Name2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione;2-[(4-methylphenyl)methoxy]isoindole-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;2-[[4-(trifluoromethyl)phenyl]methoxy]isoindole-1,3-dione
SMILESCOc1ccc(CON2C(=O)c3ccccc3C2=O)c2ccccc12.COc1ccc(CON2C(=O)c3ccccc3C2=O)cc1.Cc1ccc(CON2C(=O)c3ccccc3C2=O)cc1.O=C1C=CC(=O)N1OCc1ccccc1.O=C1c2ccccc2C(=O)N1OCc1ccc(C(F)(F)F)cc1.O=C1c2ccccc2C(=O)N1OCc1cccc2ccccc12
InChIInChI=1S/C20H15NO4.C19H13NO3.C16H10F3NO3.C16H13NO4.C16H13NO3.C11H9NO3/c1-24-18-11-10-13(14-6-2-3-7-15(14)18)12-25-21-19(22)16-8-4-5-9-17(16)20(21)23;21-18-16-10-3-4-11-17(16)19(22)20(18)23-12-14-8-5-7-13-6-1-2-9-15(13)14;17-16(18,19)11-7-5-10(6-8-11)9-23-20-14(21)12-3-1-2-4-13(12)15(20)22;1-20-12-8-6-11(7-9-12)10-21-17-15(18)13-4-2-3-5-14(13)16(17)19;1-11-6-8-12(9-7-11)10-20-17-15(18)13-4-2-3-5-14(13)16(17)19;13-10-6-7-11(14)12(10)15-8-9-4-2-1-3-5-9/h2-11H,12H2,1H3;1-11H,12H2;1-8H,9H2;2-9H,10H2,1H3;2-9H,10H2,1H3;1-7H,8H2
InChIKeyUBOWKUIPOOBKTI-UHFFFAOYSA-N
XLogP16.77
TPSA298.12 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001711.68
LogP ≤ 516.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione;2-[(4-methylphenyl)methoxy]isoindole-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;2-[[4-(trifluoromethyl)phenyl]methoxy]isoindole-1,3-dione with MolForge

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Related Compounds

2-[(4-Methoxyphenyl)methoxy]isoindole-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;2-[[4-(trifluoromethyl)phenyl]methoxy]isoindole-1,3-dione
CID 90813976
(1,3-Dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxyphenyl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methylphenyl) sulfite;(1,3-dioxoisoindol-2-yl) naphthalen-1-yl sulfite;(1,3-dioxoisoindol-2-yl) [4-(trifluoromethyl)phenyl] sulfite
CID 157731429
(1,3-Dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxyphenyl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methylphenyl) sulfite;(1,3-dioxoisoindol-2-yl) naphthalen-1-yl sulfite;(1,3-dioxoisoindol-2-yl) phenyl sulfite;(1,3-dioxoisoindol-2-yl) [4-(trifluoromethyl)phenyl] sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;(2,5-dioxopyrrol-1-yl) ethyl sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite
CID 158314970
(1,3-Dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxyphenyl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methylphenyl) sulfite;(1,3-dioxoisoindol-2-yl) naphthalen-1-yl sulfite;(1,3-dioxoisoindol-2-yl) phenyl sulfite;(1,3-dioxoisoindol-2-yl) [4-(trifluoromethyl)phenyl] sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite;molecular hydrogen;(2,3,4,5,6-pentafluorophenoxy)sulfinyl 2,3,4,5,6-pentafluorobenzenesulfinate;phenoxysulfinyl 4-cyclohexylbenzenesulfinate
CID 158905357
(1,3-Dioxoisoindol-2-yl) (4-methoxynaphthalen-1-yl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methoxyphenyl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methylphenyl) sulfite;(1,3-dioxoisoindol-2-yl) naphthalen-1-yl sulfite;(1,3-dioxoisoindol-2-yl) phenyl sulfite;(1,3-dioxoisoindol-2-yl) [4-(trifluoromethyl)phenyl] sulfite;(2,5-dioxopyrrol-1-yl) ethyl sulfite;molecular hydrogen;(2,3,4,5,6-pentafluorophenoxy)sulfinyl 2,3,4,5,6-pentafluorobenzenesulfinate;phenoxysulfinyl 4-cyclohexylbenzenesulfinate
CID 161059422
(1,3-Dioxoisoindol-2-yl) (4-methoxyphenyl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methylnaphthalen-1-yl) sulfite;(1,3-dioxoisoindol-2-yl) (4-methylphenyl) sulfite;(1,3-dioxoisoindol-2-yl) naphthalen-1-yl sulfite;(1,3-dioxoisoindol-2-yl) phenyl sulfite;(1,3-dioxoisoindol-2-yl) [4-(trifluoromethyl)phenyl] sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;(2,5-dioxopyrrol-1-yl) ethyl sulfite;(2,5-dioxopyrrol-1-yl) phenyl sulfite;hydrate
CID 161768001
3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;1-ethenyl-3,5-dimethylbenzene;1-[(3E)-hexa-3,5-dienoxy]-2,4-dimethylbenzene;tris(1,2,3,4,5,6-hexamethylbenzene);2-methyl-5-[1-(2-methyl-1,3-dioxoisoindol-5-yl)cyclohexyl]isoindole-1,3-dione;bis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione)
CID 161893169
17,40,63-Tritert-butyl-4,7,27,30,50,53-hexamethoxy-17,40,63-triazanonadecacyclo[65.2.2.22,9.210,13.214,20.221,24.225,32.233,36.237,43.244,47.248,55.256,59.260,66.03,8.015,19.026,31.038,42.049,54.061,65]trinonaconta-1(70),2,4,6,8,10,12,14,19,21,23,25,27,29,31,33,35,37,42,44(79),45,47(78),48,50,52,54,56(75),57,59(74),60,65,67(71),68,72,76,80,82,84,86,88,90,92-dotetracontaene-16,18,39,41,62,64-hexone
CID 134958211
14,18,32,36-Tetrahexoxy-3,11,21,29-tetrazaundecacyclo[29.5.3.313,19.13,6.15,9.18,11.121,24.123,27.126,29.034,38.016,44]octatetraconta-1(37),5(47),6,8,13(45),14,16,18,23,25,27(41),31,33,35,38,43-hexadecaene-4,10,22,28,40,42,46,48-octone;toluene
CID 139194649
1-Ethoxypyrrole-2,5-dione;2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione
CID 91417553
(2,5-Dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 5-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylate;bis((2,5-dioxopyrrolidin-1-yl) 4-(2,3,6-triiodobenzoyl)oxynaphthalene-1-carboxylate);(2,5-dioxopyrrolidin-1-yl) 6-(2,3,6-triiodobenzoyl)oxynaphthalene-2-carboxylate
CID 157087056
2-[(4-Methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-(2-methylhexadecoxy)benzo[de]isoquinoline-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;2-phenylmethoxybenzo[de]isoquinoline-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;3-phenyl-1-phenylmethoxypyrrole-2,5-dione;2-propoxybenzo[de]isoquinoline-1,3-dione;1-propoxypyrrole-2,5-dione
CID 157210152

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione;2-[(4-methylphenyl)methoxy]isoindole-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;2-[[4-(trifluoromethyl)phenyl]methoxy]isoindole-1,3-dione?
The IUPAC name of 2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione;2-[(4-methylphenyl)methoxy]isoindole-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;2-[[4-(trifluoromethyl)phenyl]methoxy]isoindole-1,3-dione (CID 54344846) is 2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione;2-[(4-methylphenyl)methoxy]isoindole-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;2-[[4-(trifluoromethyl)phenyl]methoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione;2-[(4-methylphenyl)methoxy]isoindole-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;2-[[4-(trifluoromethyl)phenyl]methoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione;2-[(4-methylphenyl)methoxy]isoindole-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;2-[[4-(trifluoromethyl)phenyl]methoxy]isoindole-1,3-dione is COc1ccc(CON2C(=O)c3ccccc3C2=O)c2ccccc12.COc1ccc(CON2C(=O)c3ccccc3C2=O)cc1.Cc1ccc(CON2C(=O)c3ccccc3C2=O)cc1.O=C1C=CC(=O)N1OCc1ccccc1.O=C1c2ccccc2C(=O)N1OCc1ccc(C(F)(F)F)cc1.O=C1c2ccccc2C(=O)N1OCc1cccc2ccccc12.
What is the InChIKey of 2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione;2-[(4-methylphenyl)methoxy]isoindole-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;2-[[4-(trifluoromethyl)phenyl]methoxy]isoindole-1,3-dione?
The InChIKey is UBOWKUIPOOBKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4.C19H13NO3.C16H10F3NO3.C16H13NO4.C16H13NO3.C11H9NO3/c1-24-18-11-10-13(14-6-2-3-7-15(14)18)12-25-21-19(22)16-8-4-5-9-17(16)20(21)23;21-18-16-10-3-4-11-17(16)19(22)20(18)23-12-14-8-5-7-13-6-1-2-9-15(13)14;17-16(18,19)11-7-5-10(6-8-11)9-23-20-14(21)12-3-1-2-4-13(12)15(20)22;1-20-12-8-6-11(7-9-12)10-21-17-15(18)13-4-2-3-5-14(13)16(17)19;1-11-6-8-12(9-7-11)10-20-17-15(18)13-4-2-3-5-14(13)16(17)19;13-10-6-7-11(14)12(10)15-8-9-4-2-1-3-5-9/h2-11H,12H2,1H3;1-11H,12H2;1-8H,9H2;2-9H,10H2,1H3;2-9H,10H2,1H3;1-7H,8H2.
What are the key properties of 2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione;2-[(4-methylphenyl)methoxy]isoindole-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;2-[[4-(trifluoromethyl)phenyl]methoxy]isoindole-1,3-dione?
2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione;2-[(4-methylphenyl)methoxy]isoindole-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;2-[[4-(trifluoromethyl)phenyl]methoxy]isoindole-1,3-dione has a molecular weight of 1711.68 g/mol, XLogP of 16.77, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxynaphthalen-1-yl)methoxy]isoindole-1,3-dione;2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione;2-[(4-methylphenyl)methoxy]isoindole-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;1-phenylmethoxypyrrole-2,5-dione;2-[[4-(trifluoromethyl)phenyl]methoxy]isoindole-1,3-dione is sourced from PubChem (CID 54344846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).