2-[2-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione

C23H17NO4 — CID 1323784

IUPAC2-[2-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione
SMILESCc1ccc(C(=O)COc2ccccc2N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H17NO4/c1-15-10-12-16(13-11-15)20(25)14-28-21-9-5-4-8-19(21)24-22(26)17-6-2-3-7-18(17)23(24)27/h2-13H,14H2,1H3
InChIKeyGIHVXYVKMDXHAP-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.06
Rot. Bonds5

About 2-[2-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione

2-[2-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione (PubChem CID 1323784) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[2-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione
PubChem CID1323784
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC Name2-[2-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione
SMILESCc1ccc(C(=O)COc2ccccc2N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H17NO4/c1-15-10-12-16(13-11-15)20(25)14-28-21-9-5-4-8-19(21)24-22(26)17-6-2-3-7-18(17)23(24)27/h2-13H,14H2,1H3
InChIKeyGIHVXYVKMDXHAP-UHFFFAOYSA-N
XLogP4.06
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione (CID 1323784) is 2-[2-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione is Cc1ccc(C(=O)COc2ccccc2N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[2-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione?
The InChIKey is GIHVXYVKMDXHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4/c1-15-10-12-16(13-11-15)20(25)14-28-21-9-5-4-8-19(21)24-22(26)17-6-2-3-7-18(17)23(24)27/h2-13H,14H2,1H3.
What are the key properties of 2-[2-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione?
2-[2-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione has a molecular weight of 371.39 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 1323784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).