4-[[(2E)-2-[(3-chloro-4-methylphenyl)methylidene]hydrazinyl]methyl]benzene-1,3-diol

C15H15ClN2O2 — CID 134153895

IUPAC4-[[(2E)-2-[(3-chloro-4-methylphenyl)methylidene]hydrazinyl]methyl]benzene-1,3-diol
SMILESCc1ccc(/C=N/NCc2ccc(O)cc2O)cc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-10-2-3-11(6-14(10)16)8-17-18-9-12-4-5-13(19)7-15(12)20/h2-8,18-20H,9H2,1H3/b17-8+
InChIKeyMAOKIXZOOAFLIU-CAOOACKPSA-N
MW290.75 g/mol
LogP3.18
Rot. Bonds4

About 4-[[(2E)-2-[(3-chloro-4-methylphenyl)methylidene]hydrazinyl]methyl]benzene-1,3-diol

4-[[(2E)-2-[(3-chloro-4-methylphenyl)methylidene]hydrazinyl]methyl]benzene-1,3-diol (PubChem CID 134153895) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-[[(2E)-2-[(3-chloro-4-methylphenyl)methylidene]hydrazinyl]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[(2E)-2-[(3-chloro-4-methylphenyl)methylidene]hydrazinyl]methyl]benzene-1,3-diol
PubChem CID134153895
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name4-[[(2E)-2-[(3-chloro-4-methylphenyl)methylidene]hydrazinyl]methyl]benzene-1,3-diol
SMILESCc1ccc(/C=N/NCc2ccc(O)cc2O)cc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-10-2-3-11(6-14(10)16)8-17-18-9-12-4-5-13(19)7-15(12)20/h2-8,18-20H,9H2,1H3/b17-8+
InChIKeyMAOKIXZOOAFLIU-CAOOACKPSA-N
XLogP3.18
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[(2E)-2-[(3-chloro-4-methylphenyl)methylidene]hydrazinyl]methyl]benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[(2E)-2-[(3-chloro-4-methylphenyl)methylidene]hydrazinyl]methyl]benzene-1,3-diol?
The IUPAC name of 4-[[(2E)-2-[(3-chloro-4-methylphenyl)methylidene]hydrazinyl]methyl]benzene-1,3-diol (CID 134153895) is 4-[[(2E)-2-[(3-chloro-4-methylphenyl)methylidene]hydrazinyl]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[(2E)-2-[(3-chloro-4-methylphenyl)methylidene]hydrazinyl]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[[(2E)-2-[(3-chloro-4-methylphenyl)methylidene]hydrazinyl]methyl]benzene-1,3-diol is Cc1ccc(/C=N/NCc2ccc(O)cc2O)cc1Cl.
What is the InChIKey of 4-[[(2E)-2-[(3-chloro-4-methylphenyl)methylidene]hydrazinyl]methyl]benzene-1,3-diol?
The InChIKey is MAOKIXZOOAFLIU-CAOOACKPSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10-2-3-11(6-14(10)16)8-17-18-9-12-4-5-13(19)7-15(12)20/h2-8,18-20H,9H2,1H3/b17-8+.
What are the key properties of 4-[[(2E)-2-[(3-chloro-4-methylphenyl)methylidene]hydrazinyl]methyl]benzene-1,3-diol?
4-[[(2E)-2-[(3-chloro-4-methylphenyl)methylidene]hydrazinyl]methyl]benzene-1,3-diol has a molecular weight of 290.75 g/mol, XLogP of 3.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2E)-2-[(3-chloro-4-methylphenyl)methylidene]hydrazinyl]methyl]benzene-1,3-diol is sourced from PubChem (CID 134153895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).