2-[2-(4-bromophenyl)-2-oxoethyl]-2-hydroxyindene-1,3-dione

C17H11BrO4 — CID 10473610

IUPAC2-[2-(4-bromophenyl)-2-oxoethyl]-2-hydroxyindene-1,3-dione
SMILESO=C(CC1(O)C(=O)c2ccccc2C1=O)c1ccc(Br)cc1
InChIInChI=1S/C17H11BrO4/c18-11-7-5-10(6-8-11)14(19)9-17(22)15(20)12-3-1-2-4-13(12)16(17)21/h1-8,22H,9H2
InChIKeyZYJAABRWPTWKTM-UHFFFAOYSA-N
MW359.18 g/mol
LogP2.83
Rot. Bonds3

About 2-[2-(4-bromophenyl)-2-oxoethyl]-2-hydroxyindene-1,3-dione

2-[2-(4-bromophenyl)-2-oxoethyl]-2-hydroxyindene-1,3-dione (PubChem CID 10473610) has the molecular formula C17H11BrO4 and a molecular weight of 359.18 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)-2-oxoethyl]-2-hydroxyindene-1,3-dione.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)-2-oxoethyl]-2-hydroxyindene-1,3-dione
PubChem CID10473610
Molecular FormulaC17H11BrO4
Molecular Weight359.18 g/mol
Exact Mass357.98
IUPAC Name2-[2-(4-bromophenyl)-2-oxoethyl]-2-hydroxyindene-1,3-dione
SMILESO=C(CC1(O)C(=O)c2ccccc2C1=O)c1ccc(Br)cc1
InChIInChI=1S/C17H11BrO4/c18-11-7-5-10(6-8-11)14(19)9-17(22)15(20)12-3-1-2-4-13(12)16(17)21/h1-8,22H,9H2
InChIKeyZYJAABRWPTWKTM-UHFFFAOYSA-N
XLogP2.83
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 52.83
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
5-Bromo-2,2-dihydroxyindene-1,3-dione
CID 85802270
2-(2,4-Dioxopentan-3-yl)-2-hydroxyindene-1,3-dione
CID 766079
4-Bromo-2,2-dihydroxyindene-1,3-dione
CID 145841069
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
5-Bromo-2-(hydroxymethyl)-2-phenyl-1H-indene-1,3(2H)-dione
CID 3043665
2-Hydroxy-2-(2-oxo-2-phenylethyl)-1H-indene-1,3(2H)-dione
CID 854945
2-(1-Benzoyl-2-oxo-2-phenylethyl)-2-hydroxy-1H-indene-1,3(2H)-dione
CID 363395
cis-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-[(4-bromophenyl)methyl]-2-fluoro-3-hydroxycyclopentan-1-one
CID 134961565

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)-2-oxoethyl]-2-hydroxyindene-1,3-dione?
The IUPAC name of 2-[2-(4-bromophenyl)-2-oxoethyl]-2-hydroxyindene-1,3-dione (CID 10473610) is 2-[2-(4-bromophenyl)-2-oxoethyl]-2-hydroxyindene-1,3-dione.
What is the SMILES notation for 2-[2-(4-bromophenyl)-2-oxoethyl]-2-hydroxyindene-1,3-dione?
The canonical SMILES for 2-[2-(4-bromophenyl)-2-oxoethyl]-2-hydroxyindene-1,3-dione is O=C(CC1(O)C(=O)c2ccccc2C1=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromophenyl)-2-oxoethyl]-2-hydroxyindene-1,3-dione?
The InChIKey is ZYJAABRWPTWKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrO4/c18-11-7-5-10(6-8-11)14(19)9-17(22)15(20)12-3-1-2-4-13(12)16(17)21/h1-8,22H,9H2.
What are the key properties of 2-[2-(4-bromophenyl)-2-oxoethyl]-2-hydroxyindene-1,3-dione?
2-[2-(4-bromophenyl)-2-oxoethyl]-2-hydroxyindene-1,3-dione has a molecular weight of 359.18 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)-2-oxoethyl]-2-hydroxyindene-1,3-dione is sourced from PubChem (CID 10473610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).