2-[(E)-3-(2-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-methylphenyl)prop-2-enyl]isoindole-1,3-dione

C159H126F3N9O21 — CID 159710020

IUPAC2-[(E)-3-(2-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-methylphenyl)prop-2-enyl]isoindole-1,3-dione
SMILESCOc1cccc(/C=C/CN2C(=O)c3ccccc3C2=O)c1.COc1ccccc1/C=C/CN1C(=O)c2ccccc2C1=O.Cc1ccc(/C=C/CN2C(=O)c3ccccc3C2=O)cc1.Cc1cccc(/C=C/CN2C(=O)c3ccccc3C2=O)c1.Cc1ccccc1/C=C/CN1C(=O)c2ccccc2C1=O.O=C1c2ccccc2C(=O)N1C/C=C/c1ccc(CO)cc1.O=C1c2ccccc2C(=O)N1C/C=C/c1ccc(F)cc1.O=C1c2ccccc2C(=O)N1C/C=C/c1cccc(F)c1.O=C1c2ccccc2C(=O)N1C/C=C/c1ccccc1F
InChIInChI=1S/3C18H15NO3.3C18H15NO2.3C17H12FNO2/c1-22-16-11-5-2-7-13(16)8-6-12-19-17(20)14-9-3-4-10-15(14)18(19)21;1-22-14-8-4-6-13(12-14)7-5-11-19-17(20)15-9-2-3-10-16(15)18(19)21;20-12-14-9-7-13(8-10-14)4-3-11-19-17(21)15-5-1-2-6-16(15)18(19)22;1-13-6-4-7-14(12-13)8-5-11-19-17(20)15-9-2-3-10-16(15)18(19)21;1-13-7-2-3-8-14(13)9-6-12-19-17(20)15-10-4-5-11-16(15)18(19)21;1-13-8-10-14(11-9-13)5-4-12-19-17(20)15-6-2-3-7-16(15)18(19)21;18-15-10-4-1-6-12(15)7-5-11-19-16(20)13-8-2-3-9-14(13)17(19)21;18-13-7-3-5-12(11-13)6-4-10-19-16(20)14-8-1-2-9-15(14)17(19)21;18-13-9-7-12(8-10-13)4-3-11-19-16(20)14-5-1-2-6-15(14)17(19)21/h2-11H,12H2,1H3;2-10,12H,11H2,1H3;1-10,20H,11-12H2;2-10,12H,11H2,1H3;2*2-11H,12H2,1H3;1-10H,11H2;1-9,11H,10H2;1-10H,11H2/b8-6+;7-5+;4-3+;8-5+;9-6+;5-4+;7-5+;6-4+;4-3+
InChIKeyMYSGXYDXVJLLEH-IKFRIXHVSA-N
MW2555.79 g/mol
LogP27.82
Rot. Bonds30

About 2-[(E)-3-(2-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-methylphenyl)prop-2-enyl]isoindole-1,3-dione

2-[(E)-3-(2-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-methylphenyl)prop-2-enyl]isoindole-1,3-dione (PubChem CID 159710020) has the molecular formula C159H126F3N9O21 and a molecular weight of 2555.79 g/mol. Its IUPAC name is 2-[(E)-3-(2-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-methylphenyl)prop-2-enyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(E)-3-(2-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-methylphenyl)prop-2-enyl]isoindole-1,3-dione
PubChem CID159710020
Molecular FormulaC159H126F3N9O21
Molecular Weight2555.79 g/mol
Exact Mass2553.90
IUPAC Name2-[(E)-3-(2-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-methylphenyl)prop-2-enyl]isoindole-1,3-dione
SMILESCOc1cccc(/C=C/CN2C(=O)c3ccccc3C2=O)c1.COc1ccccc1/C=C/CN1C(=O)c2ccccc2C1=O.Cc1ccc(/C=C/CN2C(=O)c3ccccc3C2=O)cc1.Cc1cccc(/C=C/CN2C(=O)c3ccccc3C2=O)c1.Cc1ccccc1/C=C/CN1C(=O)c2ccccc2C1=O.O=C1c2ccccc2C(=O)N1C/C=C/c1ccc(CO)cc1.O=C1c2ccccc2C(=O)N1C/C=C/c1ccc(F)cc1.O=C1c2ccccc2C(=O)N1C/C=C/c1cccc(F)c1.O=C1c2ccccc2C(=O)N1C/C=C/c1ccccc1F
InChIInChI=1S/3C18H15NO3.3C18H15NO2.3C17H12FNO2/c1-22-16-11-5-2-7-13(16)8-6-12-19-17(20)14-9-3-4-10-15(14)18(19)21;1-22-14-8-4-6-13(12-14)7-5-11-19-17(20)15-9-2-3-10-16(15)18(19)21;20-12-14-9-7-13(8-10-14)4-3-11-19-17(21)15-5-1-2-6-16(15)18(19)22;1-13-6-4-7-14(12-13)8-5-11-19-17(20)15-9-2-3-10-16(15)18(19)21;1-13-7-2-3-8-14(13)9-6-12-19-17(20)15-10-4-5-11-16(15)18(19)21;1-13-8-10-14(11-9-13)5-4-12-19-17(20)15-6-2-3-7-16(15)18(19)21;18-15-10-4-1-6-12(15)7-5-11-19-16(20)13-8-2-3-9-14(13)17(19)21;18-13-7-3-5-12(11-13)6-4-10-19-16(20)14-8-1-2-9-15(14)17(19)21;18-13-9-7-12(8-10-13)4-3-11-19-16(20)14-5-1-2-6-15(14)17(19)21/h2-11H,12H2,1H3;2-10,12H,11H2,1H3;1-10,20H,11-12H2;2-10,12H,11H2,1H3;2*2-11H,12H2,1H3;1-10H,11H2;1-9,11H,10H2;1-10H,11H2/b8-6+;7-5+;4-3+;8-5+;9-6+;5-4+;7-5+;6-4+;4-3+
InChIKeyMYSGXYDXVJLLEH-IKFRIXHVSA-N
XLogP27.82
TPSA375.11 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds30
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002555.79
LogP ≤ 527.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 2-[(E)-3-(2-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-methylphenyl)prop-2-enyl]isoindole-1,3-dione with MolForge

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Related Compounds

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
1,2,3,4,5,6-Hexamethylbenzene;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;1,2,3,4,5-pentamethylbenzene;1,2,4,5-tetramethylbenzene
CID 157929027
2,6-Dimethyl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;4,10-dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;bis(2,4-dimethylphenol);bis(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;3-methyl-3-[[2-methyl-4-[1,1,1-trifluoro-2-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxetane;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;bis(yttrium)
CID 158729084
3,5-Dimethylbenzoic acid;2,4-dimethylphenol;tris(1,2,3,4,5,6-hexamethylbenzene);2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate;bis(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);2-prop-2-enoyloxyethyl 3,5-dimethylbenzoate;1,2,4-trimethylbenzene
CID 159323021
4,6-Dimethylbenzene-1,3-diol;3,5-dimethylbenzoic acid;tris(2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione);1-methyl-4-[2-[(4-methylphenyl)methoxy]ethoxymethyl]benzene;tris(2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane);2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione
CID 160624990
Bis(1,2,3,4,5,6-hexamethylbenzene);2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;bis(2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate);2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;bis(1,3-xylene)
CID 161269545
(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
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
5-[4-[3-(1,3-Dioxoisoindol-2-yl)prop-1-enyl]-2-methoxyphenyl]-2-[3-(2-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione
CID 123568005
CID 146989649
CID 146989649
14-[2-(6,22-Dimethoxy-13,15-dioxo-14-azahexacyclo[15.8.0.02,11.03,8.012,16.020,25]pentacosa-1(17),2(11),3(8),4,6,12(16),20(25),21,23-nonaen-14-yl)ethyl]-6,22-bis(hydroxymethyl)-14-azahexacyclo[15.8.0.02,11.03,8.012,16.020,25]pentacosa-1(17),2(11),3(8),4,6,12(16),20(25),21,23-nonaene-13,15-dione
CID 153311791

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-(2-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-methylphenyl)prop-2-enyl]isoindole-1,3-dione?
The IUPAC name of 2-[(E)-3-(2-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-methylphenyl)prop-2-enyl]isoindole-1,3-dione (CID 159710020) is 2-[(E)-3-(2-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-methylphenyl)prop-2-enyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(E)-3-(2-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-methylphenyl)prop-2-enyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(E)-3-(2-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-methylphenyl)prop-2-enyl]isoindole-1,3-dione is COc1cccc(/C=C/CN2C(=O)c3ccccc3C2=O)c1.COc1ccccc1/C=C/CN1C(=O)c2ccccc2C1=O.Cc1ccc(/C=C/CN2C(=O)c3ccccc3C2=O)cc1.Cc1cccc(/C=C/CN2C(=O)c3ccccc3C2=O)c1.Cc1ccccc1/C=C/CN1C(=O)c2ccccc2C1=O.O=C1c2ccccc2C(=O)N1C/C=C/c1ccc(CO)cc1.O=C1c2ccccc2C(=O)N1C/C=C/c1ccc(F)cc1.O=C1c2ccccc2C(=O)N1C/C=C/c1cccc(F)c1.O=C1c2ccccc2C(=O)N1C/C=C/c1ccccc1F.
What is the InChIKey of 2-[(E)-3-(2-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-methylphenyl)prop-2-enyl]isoindole-1,3-dione?
The InChIKey is MYSGXYDXVJLLEH-IKFRIXHVSA-N. The full InChI is InChI=1S/3C18H15NO3.3C18H15NO2.3C17H12FNO2/c1-22-16-11-5-2-7-13(16)8-6-12-19-17(20)14-9-3-4-10-15(14)18(19)21;1-22-14-8-4-6-13(12-14)7-5-11-19-17(20)15-9-2-3-10-16(15)18(19)21;20-12-14-9-7-13(8-10-14)4-3-11-19-17(21)15-5-1-2-6-16(15)18(19)22;1-13-6-4-7-14(12-13)8-5-11-19-17(20)15-9-2-3-10-16(15)18(19)21;1-13-7-2-3-8-14(13)9-6-12-19-17(20)15-10-4-5-11-16(15)18(19)21;1-13-8-10-14(11-9-13)5-4-12-19-17(20)15-6-2-3-7-16(15)18(19)21;18-15-10-4-1-6-12(15)7-5-11-19-16(20)13-8-2-3-9-14(13)17(19)21;18-13-7-3-5-12(11-13)6-4-10-19-16(20)14-8-1-2-9-15(14)17(19)21;18-13-9-7-12(8-10-13)4-3-11-19-16(20)14-5-1-2-6-15(14)17(19)21/h2-11H,12H2,1H3;2-10,12H,11H2,1H3;1-10,20H,11-12H2;2-10,12H,11H2,1H3;2*2-11H,12H2,1H3;1-10H,11H2;1-9,11H,10H2;1-10H,11H2/b8-6+;7-5+;4-3+;8-5+;9-6+;5-4+;7-5+;6-4+;4-3+.
What are the key properties of 2-[(E)-3-(2-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-methylphenyl)prop-2-enyl]isoindole-1,3-dione?
2-[(E)-3-(2-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-methylphenyl)prop-2-enyl]isoindole-1,3-dione has a molecular weight of 2555.79 g/mol, XLogP of 27.82, 30 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-(2-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-fluorophenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(2-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(3-methylphenyl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(4-methylphenyl)prop-2-enyl]isoindole-1,3-dione is sourced from PubChem (CID 159710020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).