3-(2-hydroxyethyliminomethyl)benzene-1,2-diol

C9H11NO3 — CID 135744038

IUPAC3-(2-hydroxyethyliminomethyl)benzene-1,2-diol
SMILESOCC/N=C/c1cccc(O)c1O
InChIInChI=1S/C9H11NO3/c11-5-4-10-6-7-2-1-3-8(12)9(7)13/h1-3,6,11-13H,4-5H2/b10-6+
InChIKeySENZBOCZWHBPJF-UXBLZVDNSA-N
MW181.19 g/mol
LogP0.51
Rot. Bonds3

About 3-(2-hydroxyethyliminomethyl)benzene-1,2-diol

3-(2-hydroxyethyliminomethyl)benzene-1,2-diol (PubChem CID 135744038) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-(2-hydroxyethyliminomethyl)benzene-1,2-diol.

Molecular Properties

Compound Name3-(2-hydroxyethyliminomethyl)benzene-1,2-diol
PubChem CID135744038
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name3-(2-hydroxyethyliminomethyl)benzene-1,2-diol
SMILESOCC/N=C/c1cccc(O)c1O
InChIInChI=1S/C9H11NO3/c11-5-4-10-6-7-2-1-3-8(12)9(7)13/h1-3,6,11-13H,4-5H2/b10-6+
InChIKeySENZBOCZWHBPJF-UXBLZVDNSA-N
XLogP0.51
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-hydroxyethyliminomethyl)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

Related Compounds

2-fluoro-6-[2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 5232645
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
zinc bis(2-(2-hydroxyethyliminomethyl)-6-methoxyphenolate)
CID 139072510
2-(3-hydroxypropyliminomethyl)-6-methoxyphenol
CID 136727735
cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;hydrate
CID 135442959
sodium;cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135544422
2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol
CID 139082337
2,6-bis[3-(dimethylamino)propyliminomethyl]phenol
CID 136704302
2-[5-[2-hydroxy-3-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenyl]pentyl]-6-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 140514240
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyliminomethyl)benzene-1,2-diol?
The IUPAC name of 3-(2-hydroxyethyliminomethyl)benzene-1,2-diol (CID 135744038) is 3-(2-hydroxyethyliminomethyl)benzene-1,2-diol.
What is the SMILES notation for 3-(2-hydroxyethyliminomethyl)benzene-1,2-diol?
The canonical SMILES for 3-(2-hydroxyethyliminomethyl)benzene-1,2-diol is OCC/N=C/c1cccc(O)c1O.
What is the InChIKey of 3-(2-hydroxyethyliminomethyl)benzene-1,2-diol?
The InChIKey is SENZBOCZWHBPJF-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H11NO3/c11-5-4-10-6-7-2-1-3-8(12)9(7)13/h1-3,6,11-13H,4-5H2/b10-6+.
What are the key properties of 3-(2-hydroxyethyliminomethyl)benzene-1,2-diol?
3-(2-hydroxyethyliminomethyl)benzene-1,2-diol has a molecular weight of 181.19 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyliminomethyl)benzene-1,2-diol is sourced from PubChem (CID 135744038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).