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

C51H36F3N3O10 — CID 90813976

IUPAC2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;2-[[4-(trifluoromethyl)phenyl]methoxy]isoindole-1,3-dione
SMILESCOc1ccc(CON2C(=O)c3ccccc3C2=O)cc1.O=C1c2ccccc2C(=O)N1OCc1ccc(C(F)(F)F)cc1.O=C1c2ccccc2C(=O)N1OCc1cccc2ccccc12
InChIInChI=1S/C19H13NO3.C16H10F3NO3.C16H13NO4/c21-18-16-10-3-4-11-17(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/h1-11H,12H2;1-8H,9H2;2-9H,10H2,1H3
InChIKeyHNULLSRGXXAJQC-UHFFFAOYSA-N
MW907.85 g/mol
LogP9.42
Rot. Bonds10

About 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

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 (PubChem CID 90813976) has the molecular formula C51H36F3N3O10 and a molecular weight of 907.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;2-[[4-(trifluoromethyl)phenyl]methoxy]isoindole-1,3-dione
PubChem CID90813976
Molecular FormulaC51H36F3N3O10
Molecular Weight907.85 g/mol
Exact Mass907.24
IUPAC Name2-[(4-methoxyphenyl)methoxy]isoindole-1,3-dione;2-(naphthalen-1-ylmethoxy)isoindole-1,3-dione;2-[[4-(trifluoromethyl)phenyl]methoxy]isoindole-1,3-dione
SMILESCOc1ccc(CON2C(=O)c3ccccc3C2=O)cc1.O=C1c2ccccc2C(=O)N1OCc1ccc(C(F)(F)F)cc1.O=C1c2ccccc2C(=O)N1OCc1cccc2ccccc12
InChIInChI=1S/C19H13NO3.C16H10F3NO3.C16H13NO4/c21-18-16-10-3-4-11-17(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/h1-11H,12H2;1-8H,9H2;2-9H,10H2,1H3
InChIKeyHNULLSRGXXAJQC-UHFFFAOYSA-N
XLogP9.42
TPSA149.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.85
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

5-(4-Tert-butylphenyl)-4,9-bis(4-ethylphenyl)-6-(4-methoxyphenyl)-7-phenyl-8-[4-(trifluoromethyl)phenyl]benzo[f]isoindole-1,3-dione
CID 162406327
Bpi-P-omeph
CID 162341978
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
4-(4-Tert-butylphenyl)-5-(4-methoxyphenyl)-6-phenyl-7-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 140308727
2-[[2-fluoro-4-[[4-[(2E,4Z)-hexa-2,4-dien-2-yl]phenyl]methoxy]phenyl]methoxy]isoindole-1,3-dione
CID 141979545
5-(4-Methoxyphenyl)-4-(4-pentylphenyl)-6-phenyl-7-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 145193720
(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-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
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
4,8-Diiodopyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;bis(2,6-dimethoxynaphthalene)
CID 139043736
(1,3-Dioxoisoindol-2-yl) 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylate
CID 154719231
14-Dodecyl-5,23-dimethoxy-6,22-bis[4-(trifluoromethyl)phenyl]-14-azahexacyclo[15.8.0.02,11.03,8.012,16.020,25]pentacosa-1(17),2(11),3,5,7,12(16),20,22,24-nonaene-13,15-dione
CID 102236755

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(CON2C(=O)c3ccccc3C2=O)cc1.O=C1c2ccccc2C(=O)N1OCc1ccc(C(F)(F)F)cc1.O=C1c2ccccc2C(=O)N1OCc1cccc2ccccc12.
What is the InChIKey of 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?
The InChIKey is HNULLSRGXXAJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3.C16H10F3NO3.C16H13NO4/c21-18-16-10-3-4-11-17(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/h1-11H,12H2;1-8H,9H2;2-9H,10H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 907.85 g/mol, XLogP of 9.42, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90813976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).