4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-2-phenylisoindole-1,3-dione

C23H14N2O5 — CID 139481854

IUPAC4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-2-phenylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(Oc3cccc4c3C(=O)N(c3ccccc3)C4=O)cc2C1=O
InChIInChI=1S/C23H14N2O5/c1-24-20(26)15-11-10-14(12-17(15)21(24)27)30-18-9-5-8-16-19(18)23(29)25(22(16)28)13-6-3-2-4-7-13/h2-12H,1H3
InChIKeyDIOXDKBGAKKOIP-UHFFFAOYSA-N
MW398.37 g/mol
LogP3.51
Rot. Bonds3

About 4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-2-phenylisoindole-1,3-dione

4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-2-phenylisoindole-1,3-dione (PubChem CID 139481854) has the molecular formula C23H14N2O5 and a molecular weight of 398.37 g/mol. Its IUPAC name is 4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-2-phenylisoindole-1,3-dione.

Molecular Properties

Compound Name4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-2-phenylisoindole-1,3-dione
PubChem CID139481854
Molecular FormulaC23H14N2O5
Molecular Weight398.37 g/mol
Exact Mass398.09
IUPAC Name4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-2-phenylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(Oc3cccc4c3C(=O)N(c3ccccc3)C4=O)cc2C1=O
InChIInChI=1S/C23H14N2O5/c1-24-20(26)15-11-10-14(12-17(15)21(24)27)30-18-9-5-8-16-19(18)23(29)25(22(16)28)13-6-3-2-4-7-13/h2-12H,1H3
InChIKeyDIOXDKBGAKKOIP-UHFFFAOYSA-N
XLogP3.51
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-2-phenylisoindole-1,3-dione?
The IUPAC name of 4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-2-phenylisoindole-1,3-dione (CID 139481854) is 4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-2-phenylisoindole-1,3-dione.
What is the SMILES notation for 4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-2-phenylisoindole-1,3-dione?
The canonical SMILES for 4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-2-phenylisoindole-1,3-dione is CN1C(=O)c2ccc(Oc3cccc4c3C(=O)N(c3ccccc3)C4=O)cc2C1=O.
What is the InChIKey of 4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-2-phenylisoindole-1,3-dione?
The InChIKey is DIOXDKBGAKKOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N2O5/c1-24-20(26)15-11-10-14(12-17(15)21(24)27)30-18-9-5-8-16-19(18)23(29)25(22(16)28)13-6-3-2-4-7-13/h2-12H,1H3.
What are the key properties of 4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-2-phenylisoindole-1,3-dione?
4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-2-phenylisoindole-1,3-dione has a molecular weight of 398.37 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-2-phenylisoindole-1,3-dione is sourced from PubChem (CID 139481854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).