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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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).