2-(1,3-dioxoinden-2-yl)-2-hydroxyindene-1,3-dione

C18H10O5 — CID 13496543

IUPAC2-(1,3-dioxoinden-2-yl)-2-hydroxyindene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1C1(O)C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H10O5/c19-14-9-5-1-2-6-10(9)15(20)13(14)18(23)16(21)11-7-3-4-8-12(11)17(18)22/h1-8,13,23H
InChIKeyBIZFXCLBZIWFTD-UHFFFAOYSA-N
MW306.27 g/mol
LogP1.49
Rot. Bonds1

About 2-(1,3-dioxoinden-2-yl)-2-hydroxyindene-1,3-dione

2-(1,3-dioxoinden-2-yl)-2-hydroxyindene-1,3-dione (PubChem CID 13496543) has the molecular formula C18H10O5 and a molecular weight of 306.27 g/mol. Its IUPAC name is 2-(1,3-dioxoinden-2-yl)-2-hydroxyindene-1,3-dione.

Molecular Properties

Compound Name2-(1,3-dioxoinden-2-yl)-2-hydroxyindene-1,3-dione
PubChem CID13496543
Molecular FormulaC18H10O5
Molecular Weight306.27 g/mol
Exact Mass306.05
IUPAC Name2-(1,3-dioxoinden-2-yl)-2-hydroxyindene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1C1(O)C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H10O5/c19-14-9-5-1-2-6-10(9)15(20)13(14)18(23)16(21)11-7-3-4-8-12(11)17(18)22/h1-8,13,23H
InChIKeyBIZFXCLBZIWFTD-UHFFFAOYSA-N
XLogP1.49
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoinden-2-yl)-2-hydroxyindene-1,3-dione?
The IUPAC name of 2-(1,3-dioxoinden-2-yl)-2-hydroxyindene-1,3-dione (CID 13496543) is 2-(1,3-dioxoinden-2-yl)-2-hydroxyindene-1,3-dione.
What is the SMILES notation for 2-(1,3-dioxoinden-2-yl)-2-hydroxyindene-1,3-dione?
The canonical SMILES for 2-(1,3-dioxoinden-2-yl)-2-hydroxyindene-1,3-dione is O=C1c2ccccc2C(=O)C1C1(O)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoinden-2-yl)-2-hydroxyindene-1,3-dione?
The InChIKey is BIZFXCLBZIWFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O5/c19-14-9-5-1-2-6-10(9)15(20)13(14)18(23)16(21)11-7-3-4-8-12(11)17(18)22/h1-8,13,23H.
What are the key properties of 2-(1,3-dioxoinden-2-yl)-2-hydroxyindene-1,3-dione?
2-(1,3-dioxoinden-2-yl)-2-hydroxyindene-1,3-dione has a molecular weight of 306.27 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoinden-2-yl)-2-hydroxyindene-1,3-dione is sourced from PubChem (CID 13496543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).