2-(4-hydroxyphenyl)benzo[de]isoquinoline-1,3-dione

C18H11NO3 — CID 745381

IUPAC2-(4-hydroxyphenyl)benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C18H11NO3/c20-13-9-7-12(8-10-13)19-17(21)14-5-1-3-11-4-2-6-15(16(11)14)18(19)22/h1-10,20H
InChIKeyMBOMACZFYPHXRJ-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.35
Rot. Bonds1

About 2-(4-hydroxyphenyl)benzo[de]isoquinoline-1,3-dione

2-(4-hydroxyphenyl)benzo[de]isoquinoline-1,3-dione (PubChem CID 745381) has the molecular formula C18H11NO3 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)benzo[de]isoquinoline-1,3-dione
PubChem CID745381
Molecular FormulaC18H11NO3
Molecular Weight289.29 g/mol
Exact Mass289.07
IUPAC Name2-(4-hydroxyphenyl)benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C18H11NO3/c20-13-9-7-12(8-10-13)19-17(21)14-5-1-3-11-4-2-6-15(16(11)14)18(19)22/h1-10,20H
InChIKeyMBOMACZFYPHXRJ-UHFFFAOYSA-N
XLogP3.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-hydroxyphenyl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-(4-hydroxyphenyl)benzo[de]isoquinoline-1,3-dione (CID 745381) is 2-(4-hydroxyphenyl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-(4-hydroxyphenyl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-(4-hydroxyphenyl)benzo[de]isoquinoline-1,3-dione is O=C1c2cccc3cccc(c23)C(=O)N1c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is MBOMACZFYPHXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO3/c20-13-9-7-12(8-10-13)19-17(21)14-5-1-3-11-4-2-6-15(16(11)14)18(19)22/h1-10,20H.
What are the key properties of 2-(4-hydroxyphenyl)benzo[de]isoquinoline-1,3-dione?
2-(4-hydroxyphenyl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 289.29 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 745381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).