2-[4-(pyridin-4-ylmethoxy)phenyl]isoindole-1,3-dione

C20H14N2O3 — CID 168518179

IUPAC2-[4-(pyridin-4-ylmethoxy)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(OCc2ccncc2)cc1
InChIInChI=1S/C20H14N2O3/c23-19-17-3-1-2-4-18(17)20(24)22(19)15-5-7-16(8-6-15)25-13-14-9-11-21-12-10-14/h1-12H,13H2
InChIKeyTTYGCCCOOIPWSE-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.46
Rot. Bonds4

About 2-[4-(pyridin-4-ylmethoxy)phenyl]isoindole-1,3-dione

2-[4-(pyridin-4-ylmethoxy)phenyl]isoindole-1,3-dione (PubChem CID 168518179) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-[4-(pyridin-4-ylmethoxy)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(pyridin-4-ylmethoxy)phenyl]isoindole-1,3-dione
PubChem CID168518179
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Name2-[4-(pyridin-4-ylmethoxy)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(OCc2ccncc2)cc1
InChIInChI=1S/C20H14N2O3/c23-19-17-3-1-2-4-18(17)20(24)22(19)15-5-7-16(8-6-15)25-13-14-9-11-21-12-10-14/h1-12H,13H2
InChIKeyTTYGCCCOOIPWSE-UHFFFAOYSA-N
XLogP3.46
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.46
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

2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
bis[[4-(1,3-dioxoisoindol-2-yl)phenyl]methoxy]-oxoazanium
CID 68785758
2-(4-phenoxyphenyl)isoindole-1,3-dione
CID 765459
5-(2-methoxyphenoxy)-2-[4-(pyridin-4-ylmethyl)phenyl]isoindole-1,3-dione
CID 1312174
2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione
CID 44537911
[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl nitrate
CID 42634898
2-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314
1-(4-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazin-2-one
CID 54227295
2-[4-[2-(azepan-1-yl)ethoxy]phenyl]isoindole-1,3-dione
CID 168516681
2-[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione
CID 21138805
4-(4-phenylmethoxyphenyl)morpholine-3,5-dione
CID 23821636
4-[[4-[(4-methylphenyl)methoxy]phenyl]methoxymethyl]pyridine
CID 23399976

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-4-ylmethoxy)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-(pyridin-4-ylmethoxy)phenyl]isoindole-1,3-dione (CID 168518179) is 2-[4-(pyridin-4-ylmethoxy)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-(pyridin-4-ylmethoxy)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-(pyridin-4-ylmethoxy)phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccc(OCc2ccncc2)cc1.
What is the InChIKey of 2-[4-(pyridin-4-ylmethoxy)phenyl]isoindole-1,3-dione?
The InChIKey is TTYGCCCOOIPWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c23-19-17-3-1-2-4-18(17)20(24)22(19)15-5-7-16(8-6-15)25-13-14-9-11-21-12-10-14/h1-12H,13H2.
What are the key properties of 2-[4-(pyridin-4-ylmethoxy)phenyl]isoindole-1,3-dione?
2-[4-(pyridin-4-ylmethoxy)phenyl]isoindole-1,3-dione has a molecular weight of 330.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-4-ylmethoxy)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 168518179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).