2-(4-bromophenyl)indol-3-one

C14H8BrNO — CID 2312809

IUPAC2-(4-bromophenyl)indol-3-one
SMILESO=C1C(c2ccc(Br)cc2)=Nc2ccccc21
InChIInChI=1S/C14H8BrNO/c15-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)16-13/h1-8H
InChIKeyWDWOXRRYEUVKSH-UHFFFAOYSA-N
MW286.13 g/mol
LogP3.77
Rot. Bonds1

About 2-(4-bromophenyl)indol-3-one

2-(4-bromophenyl)indol-3-one (PubChem CID 2312809) has the molecular formula C14H8BrNO and a molecular weight of 286.13 g/mol. Its IUPAC name is 2-(4-bromophenyl)indol-3-one.

Molecular Properties

Compound Name2-(4-bromophenyl)indol-3-one
PubChem CID2312809
Molecular FormulaC14H8BrNO
Molecular Weight286.13 g/mol
Exact Mass284.98
IUPAC Name2-(4-bromophenyl)indol-3-one
SMILESO=C1C(c2ccc(Br)cc2)=Nc2ccccc21
InChIInChI=1S/C14H8BrNO/c15-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)16-13/h1-8H
InChIKeyWDWOXRRYEUVKSH-UHFFFAOYSA-N
XLogP3.77
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)indol-3-one?
The IUPAC name of 2-(4-bromophenyl)indol-3-one (CID 2312809) is 2-(4-bromophenyl)indol-3-one.
What is the SMILES notation for 2-(4-bromophenyl)indol-3-one?
The canonical SMILES for 2-(4-bromophenyl)indol-3-one is O=C1C(c2ccc(Br)cc2)=Nc2ccccc21.
What is the InChIKey of 2-(4-bromophenyl)indol-3-one?
The InChIKey is WDWOXRRYEUVKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrNO/c15-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)16-13/h1-8H.
What are the key properties of 2-(4-bromophenyl)indol-3-one?
2-(4-bromophenyl)indol-3-one has a molecular weight of 286.13 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)indol-3-one is sourced from PubChem (CID 2312809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).