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

C15H8ClNO3 — CID 615187

IUPAC2-(5-chloro-2-hydroxyphenyl)iminoindene-1,3-dione
SMILESO=c1c(=Nc2cc(Cl)ccc2O)c(=O)c2ccccc12
InChIInChI=1S/C15H8ClNO3/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
InChIKeyGLIMLRRLAXHTSL-UHFFFAOYSA-N
MW285.69 g/mol
LogP2.03
Rot. Bonds1

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

2-(5-chloro-2-hydroxyphenyl)iminoindene-1,3-dione (PubChem CID 615187) has the molecular formula C15H8ClNO3 and a molecular weight of 285.69 g/mol. Its IUPAC name is 2-(5-chloro-2-hydroxyphenyl)iminoindene-1,3-dione.

Molecular Properties

Compound Name2-(5-chloro-2-hydroxyphenyl)iminoindene-1,3-dione
PubChem CID615187
Molecular FormulaC15H8ClNO3
Molecular Weight285.69 g/mol
Exact Mass285.02
IUPAC Name2-(5-chloro-2-hydroxyphenyl)iminoindene-1,3-dione
SMILESO=c1c(=Nc2cc(Cl)ccc2O)c(=O)c2ccccc12
InChIInChI=1S/C15H8ClNO3/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
InChIKeyGLIMLRRLAXHTSL-UHFFFAOYSA-N
XLogP2.03
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.69
LogP ≤ 52.03
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-chloro-2-hydroxyphenyl)iminoindene-1,3-dione?
The IUPAC name of 2-(5-chloro-2-hydroxyphenyl)iminoindene-1,3-dione (CID 615187) is 2-(5-chloro-2-hydroxyphenyl)iminoindene-1,3-dione.
What is the SMILES notation for 2-(5-chloro-2-hydroxyphenyl)iminoindene-1,3-dione?
The canonical SMILES for 2-(5-chloro-2-hydroxyphenyl)iminoindene-1,3-dione is O=c1c(=Nc2cc(Cl)ccc2O)c(=O)c2ccccc12.
What is the InChIKey of 2-(5-chloro-2-hydroxyphenyl)iminoindene-1,3-dione?
The InChIKey is GLIMLRRLAXHTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClNO3/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-chloro-2-hydroxyphenyl)iminoindene-1,3-dione?
2-(5-chloro-2-hydroxyphenyl)iminoindene-1,3-dione has a molecular weight of 285.69 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-hydroxyphenyl)iminoindene-1,3-dione is sourced from PubChem (CID 615187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).