4-[[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2,3-triol

C14H12N2O6 — CID 171138438

IUPAC4-[[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2,3-triol
SMILESOc1ccc(C=NN=Cc2ccc(O)c(O)c2O)c(O)c1O
InChIInChI=1S/C14H12N2O6/c17-9-3-1-7(11(19)13(9)21)5-15-16-6-8-2-4-10(18)14(22)12(8)20/h1-6,17-22H
InChIKeyJEYXVENKSHQLMZ-UHFFFAOYSA-N
MW304.26 g/mol
LogP1.37
Rot. Bonds3

About 4-[[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2,3-triol

4-[[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2,3-triol (PubChem CID 171138438) has the molecular formula C14H12N2O6 and a molecular weight of 304.26 g/mol. Its IUPAC name is 4-[[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2,3-triol.

Molecular Properties

Compound Name4-[[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2,3-triol
PubChem CID171138438
Molecular FormulaC14H12N2O6
Molecular Weight304.26 g/mol
Exact Mass304.07
IUPAC Name4-[[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2,3-triol
SMILESOc1ccc(C=NN=Cc2ccc(O)c(O)c2O)c(O)c1O
InChIInChI=1S/C14H12N2O6/c17-9-3-1-7(11(19)13(9)21)5-15-16-6-8-2-4-10(18)14(22)12(8)20/h1-6,17-22H
InChIKeyJEYXVENKSHQLMZ-UHFFFAOYSA-N
XLogP1.37
TPSA146.10 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.26
LogP ≤ 51.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,2-bis[(2,3,4-trihydroxyphenyl)methylideneamino]guanidine
CID 137153596
4-[(tert-butylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 2454893
4-ethenylbenzene-1,2,3-triol
CID 22247516
4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,2,3-triol
CID 136719331
4-[(2-aminophenyl)iminomethyl]benzene-1,2,3-triol
CID 172914397
4-[(E)-prop-1-enyl]benzene-1,2,3-triol
CID 19910343
4-(morpholin-4-yliminomethyl)benzene-1,2,3-triol
CID 2488346
4-[(E)-hydroxyiminomethyl]-3-methylbenzene-1,2-diol
CID 137269363
4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol
CID 4079078
4-(3-trimethoxysilylpropyliminomethyl)benzene-1,2,3-triol
CID 135927797
4-[(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 3350036
benzene-1,2,3,4-tetrol;methanol
CID 174976921

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2,3-triol?
The IUPAC name of 4-[[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2,3-triol (CID 171138438) is 4-[[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2,3-triol.
What is the SMILES notation for 4-[[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2,3-triol?
The canonical SMILES for 4-[[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2,3-triol is Oc1ccc(C=NN=Cc2ccc(O)c(O)c2O)c(O)c1O.
What is the InChIKey of 4-[[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2,3-triol?
The InChIKey is JEYXVENKSHQLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O6/c17-9-3-1-7(11(19)13(9)21)5-15-16-6-8-2-4-10(18)14(22)12(8)20/h1-6,17-22H.
What are the key properties of 4-[[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2,3-triol?
4-[[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2,3-triol has a molecular weight of 304.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2,3-triol is sourced from PubChem (CID 171138438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).