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

C13H11ClN2O2 — CID 135824362

IUPAC4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/Nc2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C13H11ClN2O2/c14-10-2-4-11(5-3-10)16-15-8-9-1-6-12(17)7-13(9)18/h1-8,16-18H/b15-8+
InChIKeyHALQKXSOVJXJLI-OVCLIPMQSA-N
MW262.70 g/mol
LogP3.20
Rot. Bonds3

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

4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 135824362) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,3-diol
PubChem CID135824362
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/Nc2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C13H11ClN2O2/c14-10-2-4-11(5-3-10)16-15-8-9-1-6-12(17)7-13(9)18/h1-8,16-18H/b15-8+
InChIKeyHALQKXSOVJXJLI-OVCLIPMQSA-N
XLogP3.20
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.20
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

4-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 136831564
4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135828372
N-(4-chlorophenyl)-N'-[(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 2293021
4-[[(4-chlorophenyl)hydrazinylidene]methyl]phenol;hydrochloride
CID 136666048
4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135755003
4-[(E)-hydroxyiminomethyl]benzene-1,3-diol
CID 135408746
2,4-dichloro-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 136661445
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
4-[(Z)-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol
CID 136919083
(2R)-2-(4-chlorophenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide
CID 136766938
(2S)-2-(4-chlorophenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide
CID 136766937
4-[2-[(2-chlorophenyl)methylidene]hydrazinyl]phenol
CID 4174590

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,3-diol (CID 135824362) is 4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,3-diol is Oc1ccc(/C=N/Nc2ccc(Cl)cc2)c(O)c1.
What is the InChIKey of 4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is HALQKXSOVJXJLI-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-10-2-4-11(5-3-10)16-15-8-9-1-6-12(17)7-13(9)18/h1-8,16-18H/b15-8+.
What are the key properties of 4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,3-diol?
4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 262.70 g/mol, XLogP of 3.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 135824362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).