2-(4-bromophenyl)indene-1,3-dione

C15H9BrO2 — CID 14369

💊View drug profile → bromindione
IUPAC2-(4-bromophenyl)indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1c1ccc(Br)cc1
InChIInChI=1S/C15H9BrO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H
InChIKeyNPUZIGSOEWMFKK-UHFFFAOYSA-N
MW301.14 g/mol
LogP3.61
Rot. Bonds1

About 2-(4-bromophenyl)indene-1,3-dione

2-(4-bromophenyl)indene-1,3-dione (PubChem CID 14369) has the molecular formula C15H9BrO2 and a molecular weight of 301.14 g/mol. Its IUPAC name is 2-(4-bromophenyl)indene-1,3-dione.

Molecular Properties

Compound Name2-(4-bromophenyl)indene-1,3-dione
PubChem CID14369
Molecular FormulaC15H9BrO2
Molecular Weight301.14 g/mol
Exact Mass299.98
IUPAC Name2-(4-bromophenyl)indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1c1ccc(Br)cc1
InChIInChI=1S/C15H9BrO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H
InChIKeyNPUZIGSOEWMFKK-UHFFFAOYSA-N
XLogP3.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Phenindione
CID 4760
Fluindione
CID 68942
Valone
CID 6733
4,4'-Dibromobenzil
CID 96430
1,3-Indandione, 2-benzoyl-
CID 95022
2-(4-Methylphenyl)-1H-indene-1,3(2H)-dione
CID 202148
1-Indanone, 3-phenyl-
CID 98146
4-Bromobenzophenone
CID 7030
2-Methyl-1,3-indanedione
CID 96159
4,4'-Dibromobenzophenone
CID 72868
2-Benzylidene-1,3-indandione
CID 237822
4'-Bromochalcone
CID 5355204

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)indene-1,3-dione?
The IUPAC name of 2-(4-bromophenyl)indene-1,3-dione (CID 14369) is 2-(4-bromophenyl)indene-1,3-dione.
What is the SMILES notation for 2-(4-bromophenyl)indene-1,3-dione?
The canonical SMILES for 2-(4-bromophenyl)indene-1,3-dione is O=C1c2ccccc2C(=O)C1c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)indene-1,3-dione?
The InChIKey is NPUZIGSOEWMFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H.
What are the key properties of 2-(4-bromophenyl)indene-1,3-dione?
2-(4-bromophenyl)indene-1,3-dione has a molecular weight of 301.14 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)indene-1,3-dione is sourced from PubChem (CID 14369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).