2-hydroxy-2-(2-oxo-1,2-diphenylethyl)indene-1,3-dione

C23H16O4 — CID 3054055

IUPAC2-hydroxy-2-(2-oxo-1,2-diphenylethyl)indene-1,3-dione
SMILESO=C(c1ccccc1)C(c1ccccc1)C1(O)C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H16O4/c24-20(16-11-5-2-6-12-16)19(15-9-3-1-4-10-15)23(27)21(25)17-13-7-8-14-18(17)22(23)26/h1-14,19,27H
InChIKeyCZSVWYPAGQHHFC-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.46
Rot. Bonds4

About 2-hydroxy-2-(2-oxo-1,2-diphenylethyl)indene-1,3-dione

2-hydroxy-2-(2-oxo-1,2-diphenylethyl)indene-1,3-dione (PubChem CID 3054055) has the molecular formula C23H16O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-hydroxy-2-(2-oxo-1,2-diphenylethyl)indene-1,3-dione.

Molecular Properties

Compound Name2-hydroxy-2-(2-oxo-1,2-diphenylethyl)indene-1,3-dione
PubChem CID3054055
Molecular FormulaC23H16O4
Molecular Weight356.38 g/mol
Exact Mass356.10
IUPAC Name2-hydroxy-2-(2-oxo-1,2-diphenylethyl)indene-1,3-dione
SMILESO=C(c1ccccc1)C(c1ccccc1)C1(O)C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H16O4/c24-20(16-11-5-2-6-12-16)19(15-9-3-1-4-10-15)23(27)21(25)17-13-7-8-14-18(17)22(23)26/h1-14,19,27H
InChIKeyCZSVWYPAGQHHFC-UHFFFAOYSA-N
XLogP3.46
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
CID 21183
2-(2,4-Dioxopentan-3-yl)-2-hydroxyindene-1,3-dione
CID 766079
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
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
2-Hydroxy-2-(2-oxo-2-phenylethyl)-1H-indene-1,3(2H)-dione
CID 854945
2-Hydroxy-2-(3-methylbut-2-enyl)-2h-indene-1,3-dione
CID 10082567
2-Methyl-3-(2-methyl-1,3-dioxoinden-2-yl)oxynaphthalene-1,4-dione
CID 51031951
2-(4,4-dimethyl-2,6-dioxocyclohexyl)-2-hydroxy-1H-indene-1,3(2H)-dione
CID 740422
2-Hydroxy-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-2-en-1-yl)indene-1,3-dione
CID 5136397

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(2-oxo-1,2-diphenylethyl)indene-1,3-dione?
The IUPAC name of 2-hydroxy-2-(2-oxo-1,2-diphenylethyl)indene-1,3-dione (CID 3054055) is 2-hydroxy-2-(2-oxo-1,2-diphenylethyl)indene-1,3-dione.
What is the SMILES notation for 2-hydroxy-2-(2-oxo-1,2-diphenylethyl)indene-1,3-dione?
The canonical SMILES for 2-hydroxy-2-(2-oxo-1,2-diphenylethyl)indene-1,3-dione is O=C(c1ccccc1)C(c1ccccc1)C1(O)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-hydroxy-2-(2-oxo-1,2-diphenylethyl)indene-1,3-dione?
The InChIKey is CZSVWYPAGQHHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O4/c24-20(16-11-5-2-6-12-16)19(15-9-3-1-4-10-15)23(27)21(25)17-13-7-8-14-18(17)22(23)26/h1-14,19,27H.
What are the key properties of 2-hydroxy-2-(2-oxo-1,2-diphenylethyl)indene-1,3-dione?
2-hydroxy-2-(2-oxo-1,2-diphenylethyl)indene-1,3-dione has a molecular weight of 356.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2-oxo-1,2-diphenylethyl)indene-1,3-dione is sourced from PubChem (CID 3054055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).