5-(2-methoxyphenoxy)-2-(4-methylphenyl)isoindole-1,3-dione

C22H17NO4 — CID 1334628

IUPAC5-(2-methoxyphenoxy)-2-(4-methylphenyl)isoindole-1,3-dione
SMILESCOc1ccccc1Oc1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C2=O
InChIInChI=1S/C22H17NO4/c1-14-7-9-15(10-8-14)23-21(24)17-12-11-16(13-18(17)22(23)25)27-20-6-4-3-5-19(20)26-2/h3-13H,1-2H3
InChIKeySSUSBNQCANAGLU-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.60
Rot. Bonds4

About 5-(2-methoxyphenoxy)-2-(4-methylphenyl)isoindole-1,3-dione

5-(2-methoxyphenoxy)-2-(4-methylphenyl)isoindole-1,3-dione (PubChem CID 1334628) has the molecular formula C22H17NO4 and a molecular weight of 359.38 g/mol. Its IUPAC name is 5-(2-methoxyphenoxy)-2-(4-methylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-(2-methoxyphenoxy)-2-(4-methylphenyl)isoindole-1,3-dione
PubChem CID1334628
Molecular FormulaC22H17NO4
Molecular Weight359.38 g/mol
Exact Mass359.12
IUPAC Name5-(2-methoxyphenoxy)-2-(4-methylphenyl)isoindole-1,3-dione
SMILESCOc1ccccc1Oc1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C2=O
InChIInChI=1S/C22H17NO4/c1-14-7-9-15(10-8-14)23-21(24)17-12-11-16(13-18(17)22(23)25)27-20-6-4-3-5-19(20)26-2/h3-13H,1-2H3
InChIKeySSUSBNQCANAGLU-UHFFFAOYSA-N
XLogP4.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(R)-2-(3,4-dimethoxybenzyl)-4-(4-(1-phenylethyl)piperazin-1-yl)isoindoline-1,3-dione
CID 23627612
2-[2-(4-Aminophenyl)ethyl]-4,5-bispentyloxy-2,3-dihydroisoindol-1-one
CID 19363234
2-[4-(dimethylamino)phenyl]-5-(2-fluoroethoxy)-3H-isoindol-1-one
CID 25242570
5-(2-Fluoroethoxy)-2-[4-(methylamino)phenyl]isoindole-1,3-dione
CID 25266309
2-[4-(Dimethylamino)phenyl]-5-(2-fluoroethoxy)isoindole-1,3-dione
CID 25266310
2-(4-Aminophenyl)-5-(3-fluoropropoxy)isoindole-1,3-dione
CID 25266311
5-(3-Fluoropropoxy)-2-[4-(methylamino)phenyl]isoindole-1,3-dione
CID 25266312
2-[4-(dimethylamino)phenyl]-5-methoxy-3H-isoindol-1-one
CID 25266314
2-[4-(dimethylamino)phenyl]-5-(3-fluoropropoxy)-3H-isoindol-1-one
CID 25267384
2-[4-(Dimethylamino)phenyl]-5-methoxyisoindole-1,3-dione
CID 25270868
2-(4-Aminophenyl)-5-(2-fluoroethoxy)isoindole-1,3-dione
CID 25271539
2-[4-(Dimethylamino)phenyl]-5-(3-fluoropropoxy)isoindole-1,3-dione
CID 44588865

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenoxy)-2-(4-methylphenyl)isoindole-1,3-dione?
The IUPAC name of 5-(2-methoxyphenoxy)-2-(4-methylphenyl)isoindole-1,3-dione (CID 1334628) is 5-(2-methoxyphenoxy)-2-(4-methylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 5-(2-methoxyphenoxy)-2-(4-methylphenyl)isoindole-1,3-dione?
The canonical SMILES for 5-(2-methoxyphenoxy)-2-(4-methylphenyl)isoindole-1,3-dione is COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C2=O.
What is the InChIKey of 5-(2-methoxyphenoxy)-2-(4-methylphenyl)isoindole-1,3-dione?
The InChIKey is SSUSBNQCANAGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO4/c1-14-7-9-15(10-8-14)23-21(24)17-12-11-16(13-18(17)22(23)25)27-20-6-4-3-5-19(20)26-2/h3-13H,1-2H3.
What are the key properties of 5-(2-methoxyphenoxy)-2-(4-methylphenyl)isoindole-1,3-dione?
5-(2-methoxyphenoxy)-2-(4-methylphenyl)isoindole-1,3-dione has a molecular weight of 359.38 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenoxy)-2-(4-methylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 1334628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).