4-[(E)-(diphenylhydrazinylidene)methyl]benzene-1,2-diol

C19H16N2O2 — CID 135734041

IUPAC4-[(E)-(diphenylhydrazinylidene)methyl]benzene-1,2-diol
SMILESOc1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1O
InChIInChI=1S/C19H16N2O2/c22-18-12-11-15(13-19(18)23)14-20-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,22-23H/b20-14+
InChIKeyBKJICMXAEMNNPC-XSFVSMFZSA-N
MW304.35 g/mol
LogP4.27
Rot. Bonds4

About 4-[(E)-(diphenylhydrazinylidene)methyl]benzene-1,2-diol

4-[(E)-(diphenylhydrazinylidene)methyl]benzene-1,2-diol (PubChem CID 135734041) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-[(E)-(diphenylhydrazinylidene)methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(E)-(diphenylhydrazinylidene)methyl]benzene-1,2-diol
PubChem CID135734041
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name4-[(E)-(diphenylhydrazinylidene)methyl]benzene-1,2-diol
SMILESOc1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1O
InChIInChI=1S/C19H16N2O2/c22-18-12-11-15(13-19(18)23)14-20-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,22-23H/b20-14+
InChIKeyBKJICMXAEMNNPC-XSFVSMFZSA-N
XLogP4.27
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 9655904
4-(Diphenyl-hydrazonomethyl)-2-methoxy-phenol
CID 135444096
4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]benzene-1,2-diol
CID 135544867
4-[(3,4-dihydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 766409
(4E)-2-methoxy-4-[(2-methyl-2-phenylhydrazinyl)methylidene]cyclohexa-2,5-dien-1-one
CID 135458875
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-N-(2,4-dimethylphenyl)-2,2,2-trifluoroacetamide
CID 136238623
5-[(E)-(diphenylhydrazinylidene)methyl]-2-methoxyphenol
CID 9781300
(4E)-4-[(2-benzyl-2-phenylhydrazinyl)methylidene]-2,3-dihydroxycyclohexa-2,5-dien-1-one
CID 135520040
4-(1-(2,2-Diphenylhydrazineylidene)ethyl)phenol
CID 135676326
N,N'-bis(3,4-dihydroxybenzylidene)-diaminobenzene
CID 290180
4-[(2-Benzyl-2-phenylhydrazinyl)methylidene]cyclohexa-2,5-dien-1-one
CID 135520003
N-(3,4-dihydroxybenzylidene)aniline
CID 135703148

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(diphenylhydrazinylidene)methyl]benzene-1,2-diol?
The IUPAC name of 4-[(E)-(diphenylhydrazinylidene)methyl]benzene-1,2-diol (CID 135734041) is 4-[(E)-(diphenylhydrazinylidene)methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(E)-(diphenylhydrazinylidene)methyl]benzene-1,2-diol?
The canonical SMILES for 4-[(E)-(diphenylhydrazinylidene)methyl]benzene-1,2-diol is Oc1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1O.
What is the InChIKey of 4-[(E)-(diphenylhydrazinylidene)methyl]benzene-1,2-diol?
The InChIKey is BKJICMXAEMNNPC-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-18-12-11-15(13-19(18)23)14-20-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,22-23H/b20-14+.
What are the key properties of 4-[(E)-(diphenylhydrazinylidene)methyl]benzene-1,2-diol?
4-[(E)-(diphenylhydrazinylidene)methyl]benzene-1,2-diol has a molecular weight of 304.35 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(diphenylhydrazinylidene)methyl]benzene-1,2-diol is sourced from PubChem (CID 135734041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).