4-[(2-hydroxyphenyl)iminomethyl]benzene-1,2-diol

C13H11NO3 — CID 135839391

IUPAC4-[(2-hydroxyphenyl)iminomethyl]benzene-1,2-diol
SMILESOc1ccc(/C=N/c2ccccc2O)cc1O
InChIInChI=1S/C13H11NO3/c15-11-4-2-1-3-10(11)14-8-9-5-6-12(16)13(17)7-9/h1-8,15-17H/b14-8+
InChIKeyBSVVLXIGPDFSEZ-RIYZIHGNSA-N
MW229.24 g/mol
LogP2.55
Rot. Bonds2

About 4-[(2-hydroxyphenyl)iminomethyl]benzene-1,2-diol

4-[(2-hydroxyphenyl)iminomethyl]benzene-1,2-diol (PubChem CID 135839391) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-[(2-hydroxyphenyl)iminomethyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(2-hydroxyphenyl)iminomethyl]benzene-1,2-diol
PubChem CID135839391
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name4-[(2-hydroxyphenyl)iminomethyl]benzene-1,2-diol
SMILESOc1ccc(/C=N/c2ccccc2O)cc1O
InChIInChI=1S/C13H11NO3/c15-11-4-2-1-3-10(11)14-8-9-5-6-12(16)13(17)7-9/h1-8,15-17H/b14-8+
InChIKeyBSVVLXIGPDFSEZ-RIYZIHGNSA-N
XLogP2.55
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[(2-hydroxyphenyl)iminomethyl]benzene-1,2-diol 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 4-[(2-hydroxyphenyl)iminomethyl]benzene-1,2-diol?
The IUPAC name of 4-[(2-hydroxyphenyl)iminomethyl]benzene-1,2-diol (CID 135839391) is 4-[(2-hydroxyphenyl)iminomethyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(2-hydroxyphenyl)iminomethyl]benzene-1,2-diol?
The canonical SMILES for 4-[(2-hydroxyphenyl)iminomethyl]benzene-1,2-diol is Oc1ccc(/C=N/c2ccccc2O)cc1O.
What is the InChIKey of 4-[(2-hydroxyphenyl)iminomethyl]benzene-1,2-diol?
The InChIKey is BSVVLXIGPDFSEZ-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H11NO3/c15-11-4-2-1-3-10(11)14-8-9-5-6-12(16)13(17)7-9/h1-8,15-17H/b14-8+.
What are the key properties of 4-[(2-hydroxyphenyl)iminomethyl]benzene-1,2-diol?
4-[(2-hydroxyphenyl)iminomethyl]benzene-1,2-diol has a molecular weight of 229.24 g/mol, XLogP of 2.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxyphenyl)iminomethyl]benzene-1,2-diol is sourced from PubChem (CID 135839391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).