2-(2,6-dioxocyclohexyl)-2-hydroxyindene-1,3-dione

C15H12O5 — CID 11459957

IUPAC2-(2,6-dioxocyclohexyl)-2-hydroxyindene-1,3-dione
SMILESO=C1CCCC(=O)C1C1(O)C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H12O5/c16-10-6-3-7-11(17)12(10)15(20)13(18)8-4-1-2-5-9(8)14(15)19/h1-2,4-5,12,20H,3,6-7H2
InChIKeyAPCIXXHBJXRKFI-UHFFFAOYSA-N
MW272.26 g/mol
LogP0.74
Rot. Bonds1

About 2-(2,6-dioxocyclohexyl)-2-hydroxyindene-1,3-dione

2-(2,6-dioxocyclohexyl)-2-hydroxyindene-1,3-dione (PubChem CID 11459957) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-(2,6-dioxocyclohexyl)-2-hydroxyindene-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxocyclohexyl)-2-hydroxyindene-1,3-dione
PubChem CID11459957
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name2-(2,6-dioxocyclohexyl)-2-hydroxyindene-1,3-dione
SMILESO=C1CCCC(=O)C1C1(O)C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H12O5/c16-10-6-3-7-11(17)12(10)15(20)13(18)8-4-1-2-5-9(8)14(15)19/h1-2,4-5,12,20H,3,6-7H2
InChIKeyAPCIXXHBJXRKFI-UHFFFAOYSA-N
XLogP0.74
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.74
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'}

Analyze 2-(2,6-dioxocyclohexyl)-2-hydroxyindene-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ninhydrin
CID 10236
Hydrindantin
CID 21183
1H-Indene-1-carboxylic acid, 2,3-dihydro-3-oxo-
CID 99815
Fluoroninhydrin
CID 15287798
5-Fluoro-2,2-dihydroxyindene-1,3-dione
CID 22361311
1,10-Dihydro-1,10-dihydroxyfluoren-9-one
CID 25202226
2-(2,4-Dioxopentan-3-yl)-2-hydroxyindene-1,3-dione
CID 766079
2,2-Dihydroxy-5-methylindene-1,3-dione
CID 69700335
Methyl ninhydrin
CID 69701117
Benzoic acid, 4-((2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)acetyl)-
CID 3054052
1H-Indene-1,3(2H)-dione, 2-(2-(4-bromophenyl)-2-oxoethyl)-2-hydroxy-
CID 3054054
1H-Indene-1,3(2H)-dione, 2-hydroxy-2-(2-oxo-1,2-diphenylethyl)-
CID 3054055

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxocyclohexyl)-2-hydroxyindene-1,3-dione?
The IUPAC name of 2-(2,6-dioxocyclohexyl)-2-hydroxyindene-1,3-dione (CID 11459957) is 2-(2,6-dioxocyclohexyl)-2-hydroxyindene-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxocyclohexyl)-2-hydroxyindene-1,3-dione?
The canonical SMILES for 2-(2,6-dioxocyclohexyl)-2-hydroxyindene-1,3-dione is O=C1CCCC(=O)C1C1(O)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(2,6-dioxocyclohexyl)-2-hydroxyindene-1,3-dione?
The InChIKey is APCIXXHBJXRKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5/c16-10-6-3-7-11(17)12(10)15(20)13(18)8-4-1-2-5-9(8)14(15)19/h1-2,4-5,12,20H,3,6-7H2.
What are the key properties of 2-(2,6-dioxocyclohexyl)-2-hydroxyindene-1,3-dione?
2-(2,6-dioxocyclohexyl)-2-hydroxyindene-1,3-dione has a molecular weight of 272.26 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxocyclohexyl)-2-hydroxyindene-1,3-dione is sourced from PubChem (CID 11459957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).