2-(4-hydroxyphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid

C19H11NO5 — CID 811598

IUPAC2-(4-hydroxyphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2c3c(cccc13)C(=O)N(c1ccc(O)cc1)C2=O
InChIInChI=1S/C19H11NO5/c21-11-6-4-10(5-7-11)20-17(22)14-3-1-2-12-13(19(24)25)8-9-15(16(12)14)18(20)23/h1-9,21H,(H,24,25)
InChIKeyDBBWMAHBSZXHCK-UHFFFAOYSA-N
MW333.30 g/mol
LogP3.04
Rot. Bonds2

About 2-(4-hydroxyphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid

2-(4-hydroxyphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid (PubChem CID 811598) has the molecular formula C19H11NO5 and a molecular weight of 333.30 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid
PubChem CID811598
Molecular FormulaC19H11NO5
Molecular Weight333.30 g/mol
Exact Mass333.06
IUPAC Name2-(4-hydroxyphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2c3c(cccc13)C(=O)N(c1ccc(O)cc1)C2=O
InChIInChI=1S/C19H11NO5/c21-11-6-4-10(5-7-11)20-17(22)14-3-1-2-12-13(19(24)25)8-9-15(16(12)14)18(20)23/h1-9,21H,(H,24,25)
InChIKeyDBBWMAHBSZXHCK-UHFFFAOYSA-N
XLogP3.04
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 53.04
H-Bond Donors ≤ 52
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-hydroxyphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid?
The IUPAC name of 2-(4-hydroxyphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid (CID 811598) is 2-(4-hydroxyphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid?
The canonical SMILES for 2-(4-hydroxyphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid is O=C(O)c1ccc2c3c(cccc13)C(=O)N(c1ccc(O)cc1)C2=O.
What is the InChIKey of 2-(4-hydroxyphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid?
The InChIKey is DBBWMAHBSZXHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11NO5/c21-11-6-4-10(5-7-11)20-17(22)14-3-1-2-12-13(19(24)25)8-9-15(16(12)14)18(20)23/h1-9,21H,(H,24,25).
What are the key properties of 2-(4-hydroxyphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid?
2-(4-hydroxyphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid has a molecular weight of 333.30 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid is sourced from PubChem (CID 811598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).