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

C14H14N2O3 — CID 135679290

IUPAC4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]benzene-1,2,3-triol
SMILESCc1cccc(N/N=C/c2ccc(O)c(O)c2O)c1
InChIInChI=1S/C14H14N2O3/c1-9-3-2-4-11(7-9)16-15-8-10-5-6-12(17)14(19)13(10)18/h2-8,16-19H,1H3/b15-8+
InChIKeyAQSOZKVNPGTRAZ-OVCLIPMQSA-N
MW258.28 g/mol
LogP2.56
Rot. Bonds3

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

4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]benzene-1,2,3-triol (PubChem CID 135679290) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]benzene-1,2,3-triol.

Molecular Properties

Compound Name4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]benzene-1,2,3-triol
PubChem CID135679290
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]benzene-1,2,3-triol
SMILESCc1cccc(N/N=C/c2ccc(O)c(O)c2O)c1
InChIInChI=1S/C14H14N2O3/c1-9-3-2-4-11(7-9)16-15-8-10-5-6-12(17)14(19)13(10)18/h2-8,16-19H,1H3/b15-8+
InChIKeyAQSOZKVNPGTRAZ-OVCLIPMQSA-N
XLogP2.56
TPSA85.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.56
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'}

Analyze 4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]benzene-1,2,3-triol with MolForge

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

Launch Full Analysis

Related Compounds

4-Hydroxy-3-methoxybenzaldehyde phenylhydrazone
CID 135684904
3-{(E)-[2-(4-nitrophenyl)hydrazinylidene]methyl}benzene-1,2-diol
CID 135403136
4-{(E)-[2-(4-Chlorophenyl)hydrazinylidene]methyl}benzene-1,2,3-Triol
CID 135691141
4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
CID 135401260
2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol
CID 135401303
(4E)-4-[(2-benzyl-2-phenylhydrazinyl)methylidene]-2,3-dihydroxycyclohexa-2,5-dien-1-one
CID 135520040
2,4-Dihydroxybenzaldehyde phenylhydrazone
CID 135747344
CID 136961636
CID 136961636
2,4-Dihydroxybenzaldehyde (4-nitrophenyl)hydrazone
CID 135403173
4-[(4-Hydroxyphenyl)iminomethyl]benzene-1,2,3-triol
CID 135839389
5-methoxy-2-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 145952041
(4E)-4-[(2,2-diphenylhydrazinyl)methylidene]-2,3-dihydroxycyclohexa-2,5-dien-1-one
CID 135676161

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]benzene-1,2,3-triol?
The IUPAC name of 4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]benzene-1,2,3-triol (CID 135679290) is 4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]benzene-1,2,3-triol.
What is the SMILES notation for 4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]benzene-1,2,3-triol?
The canonical SMILES for 4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]benzene-1,2,3-triol is Cc1cccc(N/N=C/c2ccc(O)c(O)c2O)c1.
What is the InChIKey of 4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]benzene-1,2,3-triol?
The InChIKey is AQSOZKVNPGTRAZ-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-3-2-4-11(7-9)16-15-8-10-5-6-12(17)14(19)13(10)18/h2-8,16-19H,1H3/b15-8+.
What are the key properties of 4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]benzene-1,2,3-triol?
4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]benzene-1,2,3-triol has a molecular weight of 258.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]benzene-1,2,3-triol is sourced from PubChem (CID 135679290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).