4-[(E)-(benzhydrylidenehydrazinylidene)methyl]benzene-1,2,3-triol

C20H16N2O3 — CID 135521596

IUPAC4-[(E)-(benzhydrylidenehydrazinylidene)methyl]benzene-1,2,3-triol
SMILESOc1ccc(/C=N/N=C(c2ccccc2)c2ccccc2)c(O)c1O
InChIInChI=1S/C20H16N2O3/c23-17-12-11-16(19(24)20(17)25)13-21-22-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,23-25H/b21-13+
InChIKeyYBAIWUIPYQTZEG-FYJGNVAPSA-N
MW332.36 g/mol
LogP3.67
Rot. Bonds4

About 4-[(E)-(benzhydrylidenehydrazinylidene)methyl]benzene-1,2,3-triol

4-[(E)-(benzhydrylidenehydrazinylidene)methyl]benzene-1,2,3-triol (PubChem CID 135521596) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-[(E)-(benzhydrylidenehydrazinylidene)methyl]benzene-1,2,3-triol.

Molecular Properties

Compound Name4-[(E)-(benzhydrylidenehydrazinylidene)methyl]benzene-1,2,3-triol
PubChem CID135521596
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name4-[(E)-(benzhydrylidenehydrazinylidene)methyl]benzene-1,2,3-triol
SMILESOc1ccc(/C=N/N=C(c2ccccc2)c2ccccc2)c(O)c1O
InChIInChI=1S/C20H16N2O3/c23-17-12-11-16(19(24)20(17)25)13-21-22-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,23-25H/b21-13+
InChIKeyYBAIWUIPYQTZEG-FYJGNVAPSA-N
XLogP3.67
TPSA85.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

(1E,1’E)-O,O’-(Ethane-1,2-diyl)bis[2,4,5-trihydroxybenzaldehyde oxime] (5)
CID 136661637
(2E)-1,2-diphenyl-2-[(E)-(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]ethanone
CID 135401318
4-[(Fluoren-9-ylidenehydrazinylidene)methyl]benzene-1,3-diol
CID 274579
(E)-2,4,5-Trihydroxybenzaldehyde O-benzyl oxime (9)
CID 136661639
(4E)-4-[(2-diphenylphosphinothioylhydrazinyl)methylidene]-2,3-dihydroxycyclohexa-2,5-dien-1-one
CID 135501965
4-[(E)-[(E)-(2,4-dihydroxy-6-methyl-phenyl)methylenehydrazono]methyl]-5-methyl-benzene-1,3-diol
CID 135511243
4-[(E)-C-[(4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]benzene-1,2,3-triol
CID 135879369
4-[(Z)-N-hydroxy-C-[(4-hydroxyphenyl)methyl]carbonimidoyl]benzene-1,2,3-triol
CID 136117818
bis(2,3,4-trihydroxybenzaldoxyimato)copper(II)
CID 135497099
4-[(E)-(tert-butylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 135615335
Trihydroxyltriphenylmethane
CID 23432389
bis[(Z)-oxido-[(2,3,4-trihydroxyphenyl)methylene]ammonio]copper
CID 135484764

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(benzhydrylidenehydrazinylidene)methyl]benzene-1,2,3-triol?
The IUPAC name of 4-[(E)-(benzhydrylidenehydrazinylidene)methyl]benzene-1,2,3-triol (CID 135521596) is 4-[(E)-(benzhydrylidenehydrazinylidene)methyl]benzene-1,2,3-triol.
What is the SMILES notation for 4-[(E)-(benzhydrylidenehydrazinylidene)methyl]benzene-1,2,3-triol?
The canonical SMILES for 4-[(E)-(benzhydrylidenehydrazinylidene)methyl]benzene-1,2,3-triol is Oc1ccc(/C=N/N=C(c2ccccc2)c2ccccc2)c(O)c1O.
What is the InChIKey of 4-[(E)-(benzhydrylidenehydrazinylidene)methyl]benzene-1,2,3-triol?
The InChIKey is YBAIWUIPYQTZEG-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-17-12-11-16(19(24)20(17)25)13-21-22-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,23-25H/b21-13+.
What are the key properties of 4-[(E)-(benzhydrylidenehydrazinylidene)methyl]benzene-1,2,3-triol?
4-[(E)-(benzhydrylidenehydrazinylidene)methyl]benzene-1,2,3-triol has a molecular weight of 332.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(benzhydrylidenehydrazinylidene)methyl]benzene-1,2,3-triol is sourced from PubChem (CID 135521596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).