2-(6-ethoxy-1-hydroxy-2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione

C19H17NO4 — CID 18519070

IUPAC2-(6-ethoxy-1-hydroxy-2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione
SMILESCCOc1ccc2c(c1)C(O)C(N1C(=O)c3ccccc3C1=O)C2
InChIInChI=1S/C19H17NO4/c1-2-24-12-8-7-11-9-16(17(21)15(11)10-12)20-18(22)13-5-3-4-6-14(13)19(20)23/h3-8,10,16-17,21H,2,9H2,1H3
InChIKeyXFXYTMZFKDQSFN-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.34
Rot. Bonds3

About 2-(6-ethoxy-1-hydroxy-2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione

2-(6-ethoxy-1-hydroxy-2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione (PubChem CID 18519070) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(6-ethoxy-1-hydroxy-2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(6-ethoxy-1-hydroxy-2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione
PubChem CID18519070
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name2-(6-ethoxy-1-hydroxy-2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione
SMILESCCOc1ccc2c(c1)C(O)C(N1C(=O)c3ccccc3C1=O)C2
InChIInChI=1S/C19H17NO4/c1-2-24-12-8-7-11-9-16(17(21)15(11)10-12)20-18(22)13-5-3-4-6-14(13)19(20)23/h3-8,10,16-17,21H,2,9H2,1H3
InChIKeyXFXYTMZFKDQSFN-UHFFFAOYSA-N
XLogP2.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
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-(6-ethoxy-1-hydroxy-2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione?
The IUPAC name of 2-(6-ethoxy-1-hydroxy-2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione (CID 18519070) is 2-(6-ethoxy-1-hydroxy-2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(6-ethoxy-1-hydroxy-2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(6-ethoxy-1-hydroxy-2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione is CCOc1ccc2c(c1)C(O)C(N1C(=O)c3ccccc3C1=O)C2.
What is the InChIKey of 2-(6-ethoxy-1-hydroxy-2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione?
The InChIKey is XFXYTMZFKDQSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-2-24-12-8-7-11-9-16(17(21)15(11)10-12)20-18(22)13-5-3-4-6-14(13)19(20)23/h3-8,10,16-17,21H,2,9H2,1H3.
What are the key properties of 2-(6-ethoxy-1-hydroxy-2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione?
2-(6-ethoxy-1-hydroxy-2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione has a molecular weight of 323.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethoxy-1-hydroxy-2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 18519070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).