3-[(E)-[(E)-(2,3-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol

C14H12N2O4 — CID 135452530

IUPAC3-[(E)-[(E)-(2,3-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol
SMILESOc1cccc(/C=N/N=C/c2cccc(O)c2O)c1O
InChIInChI=1S/C14H12N2O4/c17-11-5-1-3-9(13(11)19)7-15-16-8-10-4-2-6-12(18)14(10)20/h1-8,17-20H/b15-7+,16-8+
InChIKeyLRQXLWBMGFQQHO-BGPOSVGRSA-N
MW272.26 g/mol
LogP1.96
Rot. Bonds3

About 3-[(E)-[(E)-(2,3-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol

3-[(E)-[(E)-(2,3-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol (PubChem CID 135452530) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3-[(E)-[(E)-(2,3-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[(E)-[(E)-(2,3-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol
PubChem CID135452530
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name3-[(E)-[(E)-(2,3-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol
SMILESOc1cccc(/C=N/N=C/c2cccc(O)c2O)c1O
InChIInChI=1S/C14H12N2O4/c17-11-5-1-3-9(13(11)19)7-15-16-8-10-4-2-6-12(18)14(10)20/h1-8,17-20H/b15-7+,16-8+
InChIKeyLRQXLWBMGFQQHO-BGPOSVGRSA-N
XLogP1.96
TPSA105.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[(E)-(2,3-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol?
The IUPAC name of 3-[(E)-[(E)-(2,3-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol (CID 135452530) is 3-[(E)-[(E)-(2,3-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol.
What is the SMILES notation for 3-[(E)-[(E)-(2,3-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol?
The canonical SMILES for 3-[(E)-[(E)-(2,3-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol is Oc1cccc(/C=N/N=C/c2cccc(O)c2O)c1O.
What is the InChIKey of 3-[(E)-[(E)-(2,3-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol?
The InChIKey is LRQXLWBMGFQQHO-BGPOSVGRSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-11-5-1-3-9(13(11)19)7-15-16-8-10-4-2-6-12(18)14(10)20/h1-8,17-20H/b15-7+,16-8+.
What are the key properties of 3-[(E)-[(E)-(2,3-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol?
3-[(E)-[(E)-(2,3-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol has a molecular weight of 272.26 g/mol, XLogP of 1.96, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[(E)-(2,3-dihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2-diol is sourced from PubChem (CID 135452530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).