2-(5-bromo-2-hydroxyphenyl)iminoindene-1,3-dione

C15H8BrNO3 — CID 548528

IUPAC2-(5-bromo-2-hydroxyphenyl)iminoindene-1,3-dione
SMILESO=c1c(=Nc2cc(Br)ccc2O)c(=O)c2ccccc12
InChIInChI=1S/C15H8BrNO3/c16-8-5-6-12(18)11(7-8)17-13-14(19)9-3-1-2-4-10(9)15(13)20/h1-7,18H
InChIKeyQCJMCFTVMLSEQH-UHFFFAOYSA-N
MW330.14 g/mol
LogP2.14
Rot. Bonds1

About 2-(5-bromo-2-hydroxyphenyl)iminoindene-1,3-dione

2-(5-bromo-2-hydroxyphenyl)iminoindene-1,3-dione (PubChem CID 548528) has the molecular formula C15H8BrNO3 and a molecular weight of 330.14 g/mol. Its IUPAC name is 2-(5-bromo-2-hydroxyphenyl)iminoindene-1,3-dione.

Molecular Properties

Compound Name2-(5-bromo-2-hydroxyphenyl)iminoindene-1,3-dione
PubChem CID548528
Molecular FormulaC15H8BrNO3
Molecular Weight330.14 g/mol
Exact Mass328.97
IUPAC Name2-(5-bromo-2-hydroxyphenyl)iminoindene-1,3-dione
SMILESO=c1c(=Nc2cc(Br)ccc2O)c(=O)c2ccccc12
InChIInChI=1S/C15H8BrNO3/c16-8-5-6-12(18)11(7-8)17-13-14(19)9-3-1-2-4-10(9)15(13)20/h1-7,18H
InChIKeyQCJMCFTVMLSEQH-UHFFFAOYSA-N
XLogP2.14
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.14
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-hydroxyphenyl)iminoindene-1,3-dione?
The IUPAC name of 2-(5-bromo-2-hydroxyphenyl)iminoindene-1,3-dione (CID 548528) is 2-(5-bromo-2-hydroxyphenyl)iminoindene-1,3-dione.
What is the SMILES notation for 2-(5-bromo-2-hydroxyphenyl)iminoindene-1,3-dione?
The canonical SMILES for 2-(5-bromo-2-hydroxyphenyl)iminoindene-1,3-dione is O=c1c(=Nc2cc(Br)ccc2O)c(=O)c2ccccc12.
What is the InChIKey of 2-(5-bromo-2-hydroxyphenyl)iminoindene-1,3-dione?
The InChIKey is QCJMCFTVMLSEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrNO3/c16-8-5-6-12(18)11(7-8)17-13-14(19)9-3-1-2-4-10(9)15(13)20/h1-7,18H.
What are the key properties of 2-(5-bromo-2-hydroxyphenyl)iminoindene-1,3-dione?
2-(5-bromo-2-hydroxyphenyl)iminoindene-1,3-dione has a molecular weight of 330.14 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-hydroxyphenyl)iminoindene-1,3-dione is sourced from PubChem (CID 548528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).