2-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]isoindole-1,3-dione

C18H16N2O4 — CID 135852605

IUPAC2-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]isoindole-1,3-dione
SMILESCCCOc1ccc(/C=N/N2C(=O)c3ccccc3C2=O)c(O)c1
InChIInChI=1S/C18H16N2O4/c1-2-9-24-13-8-7-12(16(21)10-13)11-19-20-17(22)14-5-3-4-6-15(14)18(20)23/h3-8,10-11,21H,2,9H2,1H3/b19-11+
InChIKeyDGSSJBYQPYTIOX-YBFXNURJSA-N
MW324.34 g/mol
LogP2.81
Rot. Bonds5

About 2-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]isoindole-1,3-dione

2-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]isoindole-1,3-dione (PubChem CID 135852605) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]isoindole-1,3-dione
PubChem CID135852605
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]isoindole-1,3-dione
SMILESCCCOc1ccc(/C=N/N2C(=O)c3ccccc3C2=O)c(O)c1
InChIInChI=1S/C18H16N2O4/c1-2-9-24-13-8-7-12(16(21)10-13)11-19-20-17(22)14-5-3-4-6-15(14)18(20)23/h3-8,10-11,21H,2,9H2,1H3/b19-11+
InChIKeyDGSSJBYQPYTIOX-YBFXNURJSA-N
XLogP2.81
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[(2,4-dipropoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 2378288
(5R)-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 135673713
(5S)-5-ethyl-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 135562512
2-[[(1R)-1-phenylethyl]iminomethyl]-5-propoxyphenol
CID 135682513
2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-5-propoxyphenol
CID 135571924
2-[(2-hydroxy-4-propoxyphenyl)methylideneamino]guanidine
CID 2387794
2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 6861399
2-[(E)-(4-ethoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 5332496
2-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol
CID 135699896
5-butoxy-2-[[4-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 136722310
5-hexoxy-2-[(Z)-[(Z)-(4-hexoxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 136897173
5-hexoxy-2-(hexyliminomethyl)phenol
CID 136673235

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]isoindole-1,3-dione (CID 135852605) is 2-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]isoindole-1,3-dione is CCCOc1ccc(/C=N/N2C(=O)c3ccccc3C2=O)c(O)c1.
What is the InChIKey of 2-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]isoindole-1,3-dione?
The InChIKey is DGSSJBYQPYTIOX-YBFXNURJSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-2-9-24-13-8-7-12(16(21)10-13)11-19-20-17(22)14-5-3-4-6-15(14)18(20)23/h3-8,10-11,21H,2,9H2,1H3/b19-11+.
What are the key properties of 2-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]isoindole-1,3-dione?
2-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]isoindole-1,3-dione has a molecular weight of 324.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 135852605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).