1-(2,6-dichlorophenyl)-3-(2-hydroxyethyliminomethyl)indol-2-ol

C17H14Cl2N2O2 — CID 3075125

IUPAC1-(2,6-dichlorophenyl)-3-(2-hydroxyethyliminomethyl)indol-2-ol
SMILESOCC/N=C/c1c(O)n(-c2c(Cl)cccc2Cl)c2ccccc12
InChIInChI=1S/C17H14Cl2N2O2/c18-13-5-3-6-14(19)16(13)21-15-7-2-1-4-11(15)12(17(21)23)10-20-8-9-22/h1-7,10,22-23H,8-9H2/b20-10+
InChIKeyNMYMOIIXBNOIRQ-KEBDBYFISA-N
MW349.22 g/mol
LogP4.05
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-3-(2-hydroxyethyliminomethyl)indol-2-ol

1-(2,6-dichlorophenyl)-3-(2-hydroxyethyliminomethyl)indol-2-ol (PubChem CID 3075125) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-(2-hydroxyethyliminomethyl)indol-2-ol.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-(2-hydroxyethyliminomethyl)indol-2-ol
PubChem CID3075125
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name1-(2,6-dichlorophenyl)-3-(2-hydroxyethyliminomethyl)indol-2-ol
SMILESOCC/N=C/c1c(O)n(-c2c(Cl)cccc2Cl)c2ccccc12
InChIInChI=1S/C17H14Cl2N2O2/c18-13-5-3-6-14(19)16(13)21-15-7-2-1-4-11(15)12(17(21)23)10-20-8-9-22/h1-7,10,22-23H,8-9H2/b20-10+
InChIKeyNMYMOIIXBNOIRQ-KEBDBYFISA-N
XLogP4.05
TPSA57.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(2,6-dichlorophenyl)-3-(2-hydroxyethyliminomethyl)indol-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-(2-hydroxyethyliminomethyl)indol-2-ol?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-(2-hydroxyethyliminomethyl)indol-2-ol (CID 3075125) is 1-(2,6-dichlorophenyl)-3-(2-hydroxyethyliminomethyl)indol-2-ol.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-(2-hydroxyethyliminomethyl)indol-2-ol?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-(2-hydroxyethyliminomethyl)indol-2-ol is OCC/N=C/c1c(O)n(-c2c(Cl)cccc2Cl)c2ccccc12.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-(2-hydroxyethyliminomethyl)indol-2-ol?
The InChIKey is NMYMOIIXBNOIRQ-KEBDBYFISA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c18-13-5-3-6-14(19)16(13)21-15-7-2-1-4-11(15)12(17(21)23)10-20-8-9-22/h1-7,10,22-23H,8-9H2/b20-10+.
What are the key properties of 1-(2,6-dichlorophenyl)-3-(2-hydroxyethyliminomethyl)indol-2-ol?
1-(2,6-dichlorophenyl)-3-(2-hydroxyethyliminomethyl)indol-2-ol has a molecular weight of 349.22 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-(2-hydroxyethyliminomethyl)indol-2-ol is sourced from PubChem (CID 3075125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).