2-[2-(5-hydroxy-1H-indol-3-yl)ethyliminomethyl]benzene-1,3-diol

C17H16N2O3 — CID 135581382

IUPAC2-[2-(5-hydroxy-1H-indol-3-yl)ethyliminomethyl]benzene-1,3-diol
SMILESOc1ccc2[nH]cc(CC/N=C/c3c(O)cccc3O)c2c1
InChIInChI=1S/C17H16N2O3/c20-12-4-5-15-13(8-12)11(9-19-15)6-7-18-10-14-16(21)2-1-3-17(14)22/h1-5,8-10,19-22H,6-7H2/b18-10+
InChIKeyVJTLUUXGIJYXHT-VCHYOVAHSA-N
MW296.33 g/mol
LogP2.95
Rot. Bonds4

About 2-[2-(5-hydroxy-1H-indol-3-yl)ethyliminomethyl]benzene-1,3-diol

2-[2-(5-hydroxy-1H-indol-3-yl)ethyliminomethyl]benzene-1,3-diol (PubChem CID 135581382) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[2-(5-hydroxy-1H-indol-3-yl)ethyliminomethyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[2-(5-hydroxy-1H-indol-3-yl)ethyliminomethyl]benzene-1,3-diol
PubChem CID135581382
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-[2-(5-hydroxy-1H-indol-3-yl)ethyliminomethyl]benzene-1,3-diol
SMILESOc1ccc2[nH]cc(CC/N=C/c3c(O)cccc3O)c2c1
InChIInChI=1S/C17H16N2O3/c20-12-4-5-15-13(8-12)11(9-19-15)6-7-18-10-14-16(21)2-1-3-17(14)22/h1-5,8-10,19-22H,6-7H2/b18-10+
InChIKeyVJTLUUXGIJYXHT-VCHYOVAHSA-N
XLogP2.95
TPSA88.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(5-hydroxy-1H-indol-3-yl)ethyliminomethyl]benzene-1,3-diol with MolForge

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

Launch Full Analysis

Related Compounds

3-propyl-1H-indol-5-ol
CID 15366338
3-(2-aminoethyl)-1H-indol-5-ol;sulfamide
CID 67549652
3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 15949127
3-[2-(1H-indol-3-yl)ethyliminomethyl]-1-methylindol-2-ol
CID 136935313
4-hydroxy-3-[2-(1H-indol-3-yl)ethyliminomethyl]chromen-2-one
CID 135638614
3-[(2-hydroxyphenoxy)methyl]-1H-indol-5-ol
CID 117175071
1,3-diethyl-6-hydroxy-5-[2-(1H-indol-3-yl)ethyliminomethyl]-2-sulfanylidenepyrimidin-4-one
CID 4657988
3-prop-2-enyl-1H-indol-5-ol
CID 24746176
3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride
CID 142678890
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
CID 171764243
2-(5-hydroxy-1H-indol-3-yl)ethyl-tripropylazanium;iodide;hydrate
CID 170646984
3-(2-iminoethyl)-1H-indol-5-ol
CID 54393064

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-hydroxy-1H-indol-3-yl)ethyliminomethyl]benzene-1,3-diol?
The IUPAC name of 2-[2-(5-hydroxy-1H-indol-3-yl)ethyliminomethyl]benzene-1,3-diol (CID 135581382) is 2-[2-(5-hydroxy-1H-indol-3-yl)ethyliminomethyl]benzene-1,3-diol.
What is the SMILES notation for 2-[2-(5-hydroxy-1H-indol-3-yl)ethyliminomethyl]benzene-1,3-diol?
The canonical SMILES for 2-[2-(5-hydroxy-1H-indol-3-yl)ethyliminomethyl]benzene-1,3-diol is Oc1ccc2[nH]cc(CC/N=C/c3c(O)cccc3O)c2c1.
What is the InChIKey of 2-[2-(5-hydroxy-1H-indol-3-yl)ethyliminomethyl]benzene-1,3-diol?
The InChIKey is VJTLUUXGIJYXHT-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-12-4-5-15-13(8-12)11(9-19-15)6-7-18-10-14-16(21)2-1-3-17(14)22/h1-5,8-10,19-22H,6-7H2/b18-10+.
What are the key properties of 2-[2-(5-hydroxy-1H-indol-3-yl)ethyliminomethyl]benzene-1,3-diol?
2-[2-(5-hydroxy-1H-indol-3-yl)ethyliminomethyl]benzene-1,3-diol has a molecular weight of 296.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-hydroxy-1H-indol-3-yl)ethyliminomethyl]benzene-1,3-diol is sourced from PubChem (CID 135581382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).