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

C13H11ClN2O2 — CID 135730470

IUPAC4-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]benzene-1,2-diol
SMILESOc1ccc(/C=N/Nc2cccc(Cl)c2)cc1O
InChIInChI=1S/C13H11ClN2O2/c14-10-2-1-3-11(7-10)16-15-8-9-4-5-12(17)13(18)6-9/h1-8,16-18H/b15-8+
InChIKeyCSVKVIQVQLSICK-OVCLIPMQSA-N
MW262.70 g/mol
LogP3.20
Rot. Bonds3

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

4-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]benzene-1,2-diol (PubChem CID 135730470) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 4-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]benzene-1,2-diol
PubChem CID135730470
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name4-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]benzene-1,2-diol
SMILESOc1ccc(/C=N/Nc2cccc(Cl)c2)cc1O
InChIInChI=1S/C13H11ClN2O2/c14-10-2-1-3-11(7-10)16-15-8-9-4-5-12(17)13(18)6-9/h1-8,16-18H/b15-8+
InChIKeyCSVKVIQVQLSICK-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_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

4-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135576630
N-[(Z)-benzylideneamino]-3-chloroaniline
CID 6444517
N-[(E)-(3-chlorophenyl)methylideneamino]aniline
CID 12732295
3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]aniline
CID 84924393
3-chloro-N-[(3-phenoxyphenyl)methylideneamino]aniline
CID 78597614
3-chloro-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]aniline
CID 8972803
3-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline
CID 9076615
3-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]aniline
CID 78576663
3-chloro-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
CID 110840362
2-[4-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]-N-methylanilino]ethanol
CID 7955607
1-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea
CID 136781887
2-chloro-4-[[(3-chlorophenyl)hydrazinylidene]methyl]-6-ethoxyphenol
CID 136704630

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]benzene-1,2-diol?
The IUPAC name of 4-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]benzene-1,2-diol (CID 135730470) is 4-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]benzene-1,2-diol?
The canonical SMILES for 4-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]benzene-1,2-diol is Oc1ccc(/C=N/Nc2cccc(Cl)c2)cc1O.
What is the InChIKey of 4-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]benzene-1,2-diol?
The InChIKey is CSVKVIQVQLSICK-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-10-2-1-3-11(7-10)16-15-8-9-4-5-12(17)13(18)6-9/h1-8,16-18H/b15-8+.
What are the key properties of 4-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]benzene-1,2-diol?
4-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]benzene-1,2-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)-[(3-chlorophenyl)hydrazinylidene]methyl]benzene-1,2-diol is sourced from PubChem (CID 135730470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).