4-bromo-2,2-diphenyl-3H-inden-1-one

C21H15BrO — CID 71725998

IUPAC4-bromo-2,2-diphenyl-3H-inden-1-one
SMILESO=C1c2cccc(Br)c2CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15BrO/c22-19-13-7-12-17-18(19)14-21(20(17)23,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13H,14H2
InChIKeyFZFDLZRSTDUGNK-UHFFFAOYSA-N
MW363.25 g/mol
LogP5.17
Rot. Bonds2

About 4-bromo-2,2-diphenyl-3H-inden-1-one

4-bromo-2,2-diphenyl-3H-inden-1-one (PubChem CID 71725998) has the molecular formula C21H15BrO and a molecular weight of 363.25 g/mol. Its IUPAC name is 4-bromo-2,2-diphenyl-3H-inden-1-one.

Molecular Properties

Compound Name4-bromo-2,2-diphenyl-3H-inden-1-one
PubChem CID71725998
Molecular FormulaC21H15BrO
Molecular Weight363.25 g/mol
Exact Mass362.03
IUPAC Name4-bromo-2,2-diphenyl-3H-inden-1-one
SMILESO=C1c2cccc(Br)c2CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15BrO/c22-19-13-7-12-17-18(19)14-21(20(17)23,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13H,14H2
InChIKeyFZFDLZRSTDUGNK-UHFFFAOYSA-N
XLogP5.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.25
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,5,5-tetraphenylcyclopentane-1,2-dione
CID 141043374
methyl 7-bromo-2-hydroxy-3-oxo-1H-indene-2-carboxylate
CID 141436908
2-(2-bromophenyl)-2-phenyl-1H-indol-3-one
CID 10959434
4-bromo-2-methyl-2,3-dihydroinden-1-one;ethane
CID 143769124
methyl 5-bromo-2-methyl-1-oxo-3,4-dihydronaphthalene-2-carboxylate
CID 157023406
4-bromo-2,3-dihydroinden-1-one;methanamine
CID 174616015
5-bromo-3,4-dihydroisochromen-1-one
CID 118407465
1-[5-(2-bromophenyl)thiophen-3-yl]cyclopropane-1-carboxylic acid
CID 84605544
1-bromo-9,10-dihydrophenanthrene
CID 147917753
2-amino-2-phenylindene-1,3-dione
CID 12652647
2,5-dibromo-2-phenylindene-1,3-dione
CID 3043664
2-bromo-2-phenylcyclopenta[b]naphthalene-1,3-dione
CID 71393417

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,2-diphenyl-3H-inden-1-one?
The IUPAC name of 4-bromo-2,2-diphenyl-3H-inden-1-one (CID 71725998) is 4-bromo-2,2-diphenyl-3H-inden-1-one.
What is the SMILES notation for 4-bromo-2,2-diphenyl-3H-inden-1-one?
The canonical SMILES for 4-bromo-2,2-diphenyl-3H-inden-1-one is O=C1c2cccc(Br)c2CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-bromo-2,2-diphenyl-3H-inden-1-one?
The InChIKey is FZFDLZRSTDUGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrO/c22-19-13-7-12-17-18(19)14-21(20(17)23,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13H,14H2.
What are the key properties of 4-bromo-2,2-diphenyl-3H-inden-1-one?
4-bromo-2,2-diphenyl-3H-inden-1-one has a molecular weight of 363.25 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,2-diphenyl-3H-inden-1-one is sourced from PubChem (CID 71725998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).