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

C13H11ClN2O3 — CID 135691141

IUPAC4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,2,3-triol
SMILESOc1ccc(/C=N/Nc2ccc(Cl)cc2)c(O)c1O
InChIInChI=1S/C13H11ClN2O3/c14-9-2-4-10(5-3-9)16-15-7-8-1-6-11(17)13(19)12(8)18/h1-7,16-19H/b15-7+
InChIKeyRTAUGTZBLILHLD-VIZOYTHASA-N
MW278.70 g/mol
LogP2.90
Rot. Bonds3

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

4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,2,3-triol (PubChem CID 135691141) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is 4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,2,3-triol.

Molecular Properties

Compound Name4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,2,3-triol
PubChem CID135691141
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Name4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,2,3-triol
SMILESOc1ccc(/C=N/Nc2ccc(Cl)cc2)c(O)c1O
InChIInChI=1S/C13H11ClN2O3/c14-9-2-4-10(5-3-9)16-15-7-8-1-6-11(17)13(19)12(8)18/h1-7,16-19H/b15-7+
InChIKeyRTAUGTZBLILHLD-VIZOYTHASA-N
XLogP2.90
TPSA85.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 52.90
H-Bond Donors ≤ 54
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

4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]benzene-1,2,3-triol
CID 135679290
2,4-Dihydroxybenzaldehyde phenylhydrazone
CID 135747344
4-{(E)-[(4-chlorophenyl)imino]methyl}benzene-1,2-diol
CID 955628
1-(2,4-dichlorophenyl)-3-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]thiourea
CID 135615371
4-[(Z)-(phenylhydrazinylidene)methyl]benzene-1,3-diol
CID 137155529
2-{(E)-[2-(4-chlorophenyl)hydrazinylidene]methyl}phenol
CID 135567958
4-((2-Phenylhydrazono)methyl)benzene-1,3-diol
CID 564855
3-[(E)-(phenylhydrazinylidene)methyl]benzene-1,2-diol
CID 136058118
4-[(E)-(phenylhydrazinylidene)methyl]benzene-1,2-diol
CID 136058119
4-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]benzene-1,2,3-triol
CID 136058124
4-[(E)-(phenylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 136058128
4-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,3-diol
CID 135550071

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,2,3-triol?
The IUPAC name of 4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,2,3-triol (CID 135691141) is 4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,2,3-triol.
What is the SMILES notation for 4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,2,3-triol?
The canonical SMILES for 4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,2,3-triol is Oc1ccc(/C=N/Nc2ccc(Cl)cc2)c(O)c1O.
What is the InChIKey of 4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,2,3-triol?
The InChIKey is RTAUGTZBLILHLD-VIZOYTHASA-N. The full InChI is InChI=1S/C13H11ClN2O3/c14-9-2-4-10(5-3-9)16-15-7-8-1-6-11(17)13(19)12(8)18/h1-7,16-19H/b15-7+.
What are the key properties of 4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,2,3-triol?
4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,2,3-triol has a molecular weight of 278.70 g/mol, XLogP of 2.90, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,2,3-triol is sourced from PubChem (CID 135691141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).