2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione;dihydrate

C18H14O8 — CID 23216254

IUPAC2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione;dihydrate
SMILESO.O.O=C1c2ccccc2C(=O)C1(O)C1(O)C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H10O6.2H2O/c19-13-9-5-1-2-6-10(9)14(20)17(13,23)18(24)15(21)11-7-3-4-8-12(11)16(18)22;;/h1-8,23-24H;2*1H2
InChIKeyQIAIXVRAKYAOGJ-UHFFFAOYSA-N
MW358.30 g/mol
LogP-1.04
Rot. Bonds1

About 2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione;dihydrate

2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione;dihydrate (PubChem CID 23216254) has the molecular formula C18H14O8 and a molecular weight of 358.30 g/mol. Its IUPAC name is 2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione;dihydrate.

Molecular Properties

Compound Name2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione;dihydrate
PubChem CID23216254
Molecular FormulaC18H14O8
Molecular Weight358.30 g/mol
Exact Mass358.07
IUPAC Name2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione;dihydrate
SMILESO.O.O=C1c2ccccc2C(=O)C1(O)C1(O)C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H10O6.2H2O/c19-13-9-5-1-2-6-10(9)14(20)17(13,23)18(24)15(21)11-7-3-4-8-12(11)16(18)22;;/h1-8,23-24H;2*1H2
InChIKeyQIAIXVRAKYAOGJ-UHFFFAOYSA-N
XLogP-1.04
TPSA171.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione;dihydrate?
The IUPAC name of 2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione;dihydrate (CID 23216254) is 2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione;dihydrate.
What is the SMILES notation for 2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione;dihydrate?
The canonical SMILES for 2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione;dihydrate is O.O.O=C1c2ccccc2C(=O)C1(O)C1(O)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione;dihydrate?
The InChIKey is QIAIXVRAKYAOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O6.2H2O/c19-13-9-5-1-2-6-10(9)14(20)17(13,23)18(24)15(21)11-7-3-4-8-12(11)16(18)22;;/h1-8,23-24H;2*1H2.
What are the key properties of 2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione;dihydrate?
2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione;dihydrate has a molecular weight of 358.30 g/mol, XLogP of -1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione;dihydrate is sourced from PubChem (CID 23216254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).