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

C18H10O6 — CID 21183

IUPAC2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1(O)C1(O)C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H10O6/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
InChIKeyLWFPYLZOVOCBPZ-UHFFFAOYSA-N
MW322.27 g/mol
LogP0.61
Rot. Bonds1

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

2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione (PubChem CID 21183) has the molecular formula C18H10O6 and a molecular weight of 322.27 g/mol. Its IUPAC name is 2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione.

Molecular Properties

Compound Name2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione
PubChem CID21183
Molecular FormulaC18H10O6
Molecular Weight322.27 g/mol
Exact Mass322.05
IUPAC Name2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1(O)C1(O)C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H10O6/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
InChIKeyLWFPYLZOVOCBPZ-UHFFFAOYSA-N
XLogP0.61
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 50.61
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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Related Compounds

Hydrindantin dihydrate
CID 22232
2-(hydroxymethyl)-2-phenyl-1H-indene-1,3(2H)-dione
CID 3035279
1,10-Dihydro-1,10-dihydroxyfluoren-9-one
CID 25202226
2-(2,4-Dioxopentan-3-yl)-2-hydroxyindene-1,3-dione
CID 766079
Methyl ninhydrin
CID 69701117
(2R,2'S)-2,2',3,3,3',3'-hexahydroxy-2,2',3,3'-tetrahydro-1H,1'H-2,2'-biindene-1,1'-dione
CID 1551234
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
2,2'-Dihydroxy-1H,1'H-[2,2'-biindene]-1,1',3,3'(2H,2'H)-tetraone dihydrate
CID 23216254
2-hydroxy-2-(2-hydroxy-6-oxo-1-cyclohexen-1-yl)-1H-indene-1,3(2H)-dione
CID 671255
Ethyl 2-(2-hydroxy-1,3-dioxoinden-2-yl)-3-oxo-3-phenylpropanoate
CID 4963222

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione?
The IUPAC name of 2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione (CID 21183) is 2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione.
What is the SMILES notation for 2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione?
The canonical SMILES for 2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione is 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?
The InChIKey is LWFPYLZOVOCBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O6/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.
What are the key properties of 2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione?
2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione has a molecular weight of 322.27 g/mol, XLogP of 0.61, 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 is sourced from PubChem (CID 21183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).