5-bromo-6'-methoxy-3'-(4-methoxyphenyl)spiro[1H-indole-3,1'-indene]-2-one

C24H18BrNO3 — CID 102153970

IUPAC5-bromo-6'-methoxy-3'-(4-methoxyphenyl)spiro[1H-indole-3,1'-indene]-2-one
SMILESCOc1ccc(C2=CC3(C(=O)Nc4ccc(Br)cc43)c3cc(OC)ccc32)cc1
InChIInChI=1S/C24H18BrNO3/c1-28-16-6-3-14(4-7-16)19-13-24(20-12-17(29-2)8-9-18(19)20)21-11-15(25)5-10-22(21)26-23(24)27/h3-13H,1-2H3,(H,26,27)
InChIKeyIFXWLLWQJXUJSV-UHFFFAOYSA-N
MW448.32 g/mol
LogP5.15
Rot. Bonds3

About 5-bromo-6'-methoxy-3'-(4-methoxyphenyl)spiro[1H-indole-3,1'-indene]-2-one

5-bromo-6'-methoxy-3'-(4-methoxyphenyl)spiro[1H-indole-3,1'-indene]-2-one (PubChem CID 102153970) has the molecular formula C24H18BrNO3 and a molecular weight of 448.32 g/mol. Its IUPAC name is 5-bromo-6'-methoxy-3'-(4-methoxyphenyl)spiro[1H-indole-3,1'-indene]-2-one.

Molecular Properties

Compound Name5-bromo-6'-methoxy-3'-(4-methoxyphenyl)spiro[1H-indole-3,1'-indene]-2-one
PubChem CID102153970
Molecular FormulaC24H18BrNO3
Molecular Weight448.32 g/mol
Exact Mass447.05
IUPAC Name5-bromo-6'-methoxy-3'-(4-methoxyphenyl)spiro[1H-indole-3,1'-indene]-2-one
SMILESCOc1ccc(C2=CC3(C(=O)Nc4ccc(Br)cc43)c3cc(OC)ccc32)cc1
InChIInChI=1S/C24H18BrNO3/c1-28-16-6-3-14(4-7-16)19-13-24(20-12-17(29-2)8-9-18(19)20)21-11-15(25)5-10-22(21)26-23(24)27/h3-13H,1-2H3,(H,26,27)
InChIKeyIFXWLLWQJXUJSV-UHFFFAOYSA-N
XLogP5.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.32
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3,3-bis(4-hydroxy-3-methoxyphenyl)-7-methyl-1,3-dihydro-2H-indol-2-one
CID 2906697
5-bromo-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one
CID 2895076
3,3-Bis-(4-hydroxy-phenyl)-5-methoxy-1,3-dihydro-indol-2-one
CID 12218509
3-[(5-Bromo-2-methoxyphenyl)methyl]-2,3-dihydro-1H-indol-2-one
CID 16015319
5-bromo-3-(2,5-dimethoxybenzyl)-1,3-dihydro-2H-indol-2-one
CID 16015327
3-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1H-indol-2-one
CID 44294730
5-bromo-3,3-bis(4-hydroxy-3-methoxyphenyl)-1-methyl-1,3-dihydro-2H-indol-2-one
CID 2906737
5,7-dibromo-3,3-bis(4-hydroxy-3-methoxyphenyl)-1,3-dihydro-2H-indol-2-one
CID 4457027
5'-Bromo-2-(phenoxymethyl)spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956440
3,3-bis(4-methoxyphenyl)-1,3-dihydro-2H-indol-2-one
CID 44438714
(3Z)-5-bromo-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-dihydro-2H-indol-2-one
CID 6509922
5-Bromo-3-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-indol-2-one
CID 16015325

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6'-methoxy-3'-(4-methoxyphenyl)spiro[1H-indole-3,1'-indene]-2-one?
The IUPAC name of 5-bromo-6'-methoxy-3'-(4-methoxyphenyl)spiro[1H-indole-3,1'-indene]-2-one (CID 102153970) is 5-bromo-6'-methoxy-3'-(4-methoxyphenyl)spiro[1H-indole-3,1'-indene]-2-one.
What is the SMILES notation for 5-bromo-6'-methoxy-3'-(4-methoxyphenyl)spiro[1H-indole-3,1'-indene]-2-one?
The canonical SMILES for 5-bromo-6'-methoxy-3'-(4-methoxyphenyl)spiro[1H-indole-3,1'-indene]-2-one is COc1ccc(C2=CC3(C(=O)Nc4ccc(Br)cc43)c3cc(OC)ccc32)cc1.
What is the InChIKey of 5-bromo-6'-methoxy-3'-(4-methoxyphenyl)spiro[1H-indole-3,1'-indene]-2-one?
The InChIKey is IFXWLLWQJXUJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrNO3/c1-28-16-6-3-14(4-7-16)19-13-24(20-12-17(29-2)8-9-18(19)20)21-11-15(25)5-10-22(21)26-23(24)27/h3-13H,1-2H3,(H,26,27).
What are the key properties of 5-bromo-6'-methoxy-3'-(4-methoxyphenyl)spiro[1H-indole-3,1'-indene]-2-one?
5-bromo-6'-methoxy-3'-(4-methoxyphenyl)spiro[1H-indole-3,1'-indene]-2-one has a molecular weight of 448.32 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6'-methoxy-3'-(4-methoxyphenyl)spiro[1H-indole-3,1'-indene]-2-one is sourced from PubChem (CID 102153970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).