2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione

C23H15F4NO4 — CID 21337161

IUPAC2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione
SMILESCc1ccc(COc2c(F)c(F)c(CON3C(=O)c4ccccc4C3=O)c(F)c2F)cc1
InChIInChI=1S/C23H15F4NO4/c1-12-6-8-13(9-7-12)10-31-21-19(26)17(24)16(18(25)20(21)27)11-32-28-22(29)14-4-2-3-5-15(14)23(28)30/h2-9H,10-11H2,1H3
InChIKeyBIDJDDPUSZEZPI-UHFFFAOYSA-N
MW445.37 g/mol
LogP4.86
Rot. Bonds6

About 2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione

2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione (PubChem CID 21337161) has the molecular formula C23H15F4NO4 and a molecular weight of 445.37 g/mol. Its IUPAC name is 2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione
PubChem CID21337161
Molecular FormulaC23H15F4NO4
Molecular Weight445.37 g/mol
Exact Mass445.09
IUPAC Name2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione
SMILESCc1ccc(COc2c(F)c(F)c(CON3C(=O)c4ccccc4C3=O)c(F)c2F)cc1
InChIInChI=1S/C23H15F4NO4/c1-12-6-8-13(9-7-12)10-31-21-19(26)17(24)16(18(25)20(21)27)11-32-28-22(29)14-4-2-3-5-15(14)23(28)30/h2-9H,10-11H2,1H3
InChIKeyBIDJDDPUSZEZPI-UHFFFAOYSA-N
XLogP4.86
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.37
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione with MolForge

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Related Compounds

2-[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione
CID 21138805
bis(1-(chloromethyl)-4-methylbenzene);(2,4-dimethoxyphenyl)-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)methanone;(2,4-dimethoxyphenyl)-[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanone;2,3,5,6-tetrafluoro-4-hydroxybenzoic acid;2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]benzoic acid;[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methanol;2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione;O-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methyl]hydroxylamine
CID 161410687
2-[[4-(chloromethyl)phenyl]methoxy]isoindole-1,3-dione
CID 23315738
2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]isoindole-1,3-dione
CID 101060892
2-[(4-octoxyphenyl)methoxy]isoindole-1,3-dione
CID 19969096
1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene
CID 123297454
2-[(4-methylphenyl)methoxy]-1,3-dioxoisoindole-5-carboxylic acid
CID 58776636
zinc;carbanide;5-methyl-2-phenylmethoxybenzo[de]isoquinoline-1,3-dione
CID 158477036
2-[(3-hydroxy-4-methoxyphenyl)methoxy]isoindole-1,3-dione
CID 15924368
2-[(2-methyl-3-phenylphenyl)methoxy]isoindole-1,3-dione
CID 134107407
2-[2-(4-methylpyridin-1-ium-1-yl)ethoxy]isoindole-1,3-dione
CID 5163432
2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]isoindole-1,3-dione
CID 22344648

Frequently Asked Questions

What is the IUPAC name of 2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione?
The IUPAC name of 2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione (CID 21337161) is 2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione is Cc1ccc(COc2c(F)c(F)c(CON3C(=O)c4ccccc4C3=O)c(F)c2F)cc1.
What is the InChIKey of 2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione?
The InChIKey is BIDJDDPUSZEZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F4NO4/c1-12-6-8-13(9-7-12)10-31-21-19(26)17(24)16(18(25)20(21)27)11-32-28-22(29)14-4-2-3-5-15(14)23(28)30/h2-9H,10-11H2,1H3.
What are the key properties of 2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione?
2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione has a molecular weight of 445.37 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,3,5,6-tetrafluoro-4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione is sourced from PubChem (CID 21337161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).