2-[4-(2-hydroxyethoxy)phenyl]benzo[f]isoindole-1,3-dione

C20H15NO4 — CID 176514543

IUPAC2-[4-(2-hydroxyethoxy)phenyl]benzo[f]isoindole-1,3-dione
SMILESO=C1c2cc3ccccc3cc2C(=O)N1c1ccc(OCCO)cc1
InChIInChI=1S/C20H15NO4/c22-9-10-25-16-7-5-15(6-8-16)21-19(23)17-11-13-3-1-2-4-14(13)12-18(17)20(21)24/h1-8,11-12,22H,9-10H2
InChIKeyAIUUEJSMEYCKAM-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.01
Rot. Bonds4

About 2-[4-(2-hydroxyethoxy)phenyl]benzo[f]isoindole-1,3-dione

2-[4-(2-hydroxyethoxy)phenyl]benzo[f]isoindole-1,3-dione (PubChem CID 176514543) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethoxy)phenyl]benzo[f]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(2-hydroxyethoxy)phenyl]benzo[f]isoindole-1,3-dione
PubChem CID176514543
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Name2-[4-(2-hydroxyethoxy)phenyl]benzo[f]isoindole-1,3-dione
SMILESO=C1c2cc3ccccc3cc2C(=O)N1c1ccc(OCCO)cc1
InChIInChI=1S/C20H15NO4/c22-9-10-25-16-7-5-15(6-8-16)21-19(23)17-11-13-3-1-2-4-14(13)12-18(17)20(21)24/h1-8,11-12,22H,9-10H2
InChIKeyAIUUEJSMEYCKAM-UHFFFAOYSA-N
XLogP3.01
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.01
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-[4-(2-hydroxyethoxy)phenyl]benzo[f]isoindole-1,3-dione?
The IUPAC name of 2-[4-(2-hydroxyethoxy)phenyl]benzo[f]isoindole-1,3-dione (CID 176514543) is 2-[4-(2-hydroxyethoxy)phenyl]benzo[f]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-(2-hydroxyethoxy)phenyl]benzo[f]isoindole-1,3-dione?
The canonical SMILES for 2-[4-(2-hydroxyethoxy)phenyl]benzo[f]isoindole-1,3-dione is O=C1c2cc3ccccc3cc2C(=O)N1c1ccc(OCCO)cc1.
What is the InChIKey of 2-[4-(2-hydroxyethoxy)phenyl]benzo[f]isoindole-1,3-dione?
The InChIKey is AIUUEJSMEYCKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c22-9-10-25-16-7-5-15(6-8-16)21-19(23)17-11-13-3-1-2-4-14(13)12-18(17)20(21)24/h1-8,11-12,22H,9-10H2.
What are the key properties of 2-[4-(2-hydroxyethoxy)phenyl]benzo[f]isoindole-1,3-dione?
2-[4-(2-hydroxyethoxy)phenyl]benzo[f]isoindole-1,3-dione has a molecular weight of 333.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethoxy)phenyl]benzo[f]isoindole-1,3-dione is sourced from PubChem (CID 176514543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).