4-[(E)-(phenylhydrazinylidene)methyl]benzene-1,3-diol

C13H12N2O2 — CID 135747344

IUPAC4-[(E)-(phenylhydrazinylidene)methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/Nc2ccccc2)c(O)c1
InChIInChI=1S/C13H12N2O2/c16-12-7-6-10(13(17)8-12)9-14-15-11-4-2-1-3-5-11/h1-9,15-17H/b14-9+
InChIKeyZNNMXRMLLZVIRS-NTEUORMPSA-N
MW228.25 g/mol
LogP2.54
Rot. Bonds3

About 4-[(E)-(phenylhydrazinylidene)methyl]benzene-1,3-diol

4-[(E)-(phenylhydrazinylidene)methyl]benzene-1,3-diol (PubChem CID 135747344) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-[(E)-(phenylhydrazinylidene)methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-(phenylhydrazinylidene)methyl]benzene-1,3-diol
PubChem CID135747344
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name4-[(E)-(phenylhydrazinylidene)methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/Nc2ccccc2)c(O)c1
InChIInChI=1S/C13H12N2O2/c16-12-7-6-10(13(17)8-12)9-14-15-11-4-2-1-3-5-11/h1-9,15-17H/b14-9+
InChIKeyZNNMXRMLLZVIRS-NTEUORMPSA-N
XLogP2.54
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Salicylaldehyde phenylhydrazone
CID 135401296
2-Hydroxybenzaldehyde (4-nitrophenyl)hydrazone
CID 135509553
N-Phenyl-N'-(4-hydroxybenzylidene) hydrazine
CID 135519945
Benzene-1,3-diol, 4-(2-hydroxyphenyliminomethyl)-
CID 556793
4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]benzene-1,2,3-triol
CID 135679290
2-[N-anilino-C-(2-hydroxyphenyl)carbonimidoyl]phenol
CID 266986
4-{(E)-[2-(4-Chlorophenyl)hydrazinylidene]methyl}benzene-1,2,3-Triol
CID 135691141
2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol
CID 135401303
4-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,3-diol
CID 135519910
4-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]benzene-1,3-diol
CID 136226201
4-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]benzene-1,3-diol
CID 137292524
2-[(E)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]-5-methoxyphenol
CID 135520001

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(phenylhydrazinylidene)methyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-(phenylhydrazinylidene)methyl]benzene-1,3-diol (CID 135747344) is 4-[(E)-(phenylhydrazinylidene)methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-(phenylhydrazinylidene)methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-(phenylhydrazinylidene)methyl]benzene-1,3-diol is Oc1ccc(/C=N/Nc2ccccc2)c(O)c1.
What is the InChIKey of 4-[(E)-(phenylhydrazinylidene)methyl]benzene-1,3-diol?
The InChIKey is ZNNMXRMLLZVIRS-NTEUORMPSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-12-7-6-10(13(17)8-12)9-14-15-11-4-2-1-3-5-11/h1-9,15-17H/b14-9+.
What are the key properties of 4-[(E)-(phenylhydrazinylidene)methyl]benzene-1,3-diol?
4-[(E)-(phenylhydrazinylidene)methyl]benzene-1,3-diol has a molecular weight of 228.25 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(phenylhydrazinylidene)methyl]benzene-1,3-diol is sourced from PubChem (CID 135747344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).