5-bromo-2-(4-methylphenyl)indol-3-one

C15H10BrNO — CID 163409623

IUPAC5-bromo-2-(4-methylphenyl)indol-3-one
SMILESCc1ccc(C2=Nc3ccc(Br)cc3C2=O)cc1
InChIInChI=1S/C15H10BrNO/c1-9-2-4-10(5-3-9)14-15(18)12-8-11(16)6-7-13(12)17-14/h2-8H,1H3
InChIKeyQKMHBFWNCHASQH-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.07
Rot. Bonds1

About 5-bromo-2-(4-methylphenyl)indol-3-one

5-bromo-2-(4-methylphenyl)indol-3-one (PubChem CID 163409623) has the molecular formula C15H10BrNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 5-bromo-2-(4-methylphenyl)indol-3-one.

Molecular Properties

Compound Name5-bromo-2-(4-methylphenyl)indol-3-one
PubChem CID163409623
Molecular FormulaC15H10BrNO
Molecular Weight300.16 g/mol
Exact Mass298.99
IUPAC Name5-bromo-2-(4-methylphenyl)indol-3-one
SMILESCc1ccc(C2=Nc3ccc(Br)cc3C2=O)cc1
InChIInChI=1S/C15H10BrNO/c1-9-2-4-10(5-3-9)14-15(18)12-8-11(16)6-7-13(12)17-14/h2-8H,1H3
InChIKeyQKMHBFWNCHASQH-UHFFFAOYSA-N
XLogP4.07
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 99677
ST50264022
CID 776243
2-Phenylindolone
CID 99128
(2-Amino-5-bromophenyl)(2-fluorophenyl)methanone
CID 73865
1-(2-Amino-5-bromophenyl)propan-1-one
CID 10082478
1-(2-Amino-5-bromophenyl)ethan-1-one
CID 11074746
1-Oxido-2-(p-tolyl)indol-1-ium-3-one
CID 362362
2-(4-Ethylphenyl)-1-oxidoindol-1-ium-3-one
CID 44817752
(2-Amino-5-bromophenyl)(4-fluorophenyl)methanone
CID 1359860
2-(4-Bromophenyl)-1-oxido-indol-1-ium-3-one
CID 362366
2-(4-methylphenyl)-3H-indol-3-one
CID 15261101
2-(4-Fluorophenyl)indol-3-one
CID 15261099

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-methylphenyl)indol-3-one?
The IUPAC name of 5-bromo-2-(4-methylphenyl)indol-3-one (CID 163409623) is 5-bromo-2-(4-methylphenyl)indol-3-one.
What is the SMILES notation for 5-bromo-2-(4-methylphenyl)indol-3-one?
The canonical SMILES for 5-bromo-2-(4-methylphenyl)indol-3-one is Cc1ccc(C2=Nc3ccc(Br)cc3C2=O)cc1.
What is the InChIKey of 5-bromo-2-(4-methylphenyl)indol-3-one?
The InChIKey is QKMHBFWNCHASQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO/c1-9-2-4-10(5-3-9)14-15(18)12-8-11(16)6-7-13(12)17-14/h2-8H,1H3.
What are the key properties of 5-bromo-2-(4-methylphenyl)indol-3-one?
5-bromo-2-(4-methylphenyl)indol-3-one has a molecular weight of 300.16 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-methylphenyl)indol-3-one is sourced from PubChem (CID 163409623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).