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

C13H11FN2O2 — CID 135730451

IUPAC4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/Nc2ccc(F)cc2)c(O)c1
InChIInChI=1S/C13H11FN2O2/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+
InChIKeyBVEIIKSCYWADSA-OVCLIPMQSA-N
MW246.24 g/mol
LogP2.68
Rot. Bonds3

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

4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 135730451) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol
PubChem CID135730451
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/Nc2ccc(F)cc2)c(O)c1
InChIInChI=1S/C13H11FN2O2/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+
InChIKeyBVEIIKSCYWADSA-OVCLIPMQSA-N
XLogP2.68
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.68
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

Salicylaldehyde phenylhydrazone
CID 135401296
N-Phenyl-N'-(4-hydroxybenzylidene) hydrazine
CID 135519945
Benzene-1,3-diol, 4-(2-hydroxyphenyliminomethyl)-
CID 556793
2-[(E)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]phenol
CID 135519991
4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]benzene-1,2,3-triol
CID 135679290
4-{(E)-[2-(4-Chlorophenyl)hydrazinylidene]methyl}benzene-1,2,3-Triol
CID 135691141
1-[(2,4-Dihydroxyphenyl)methylideneamino]-3-(4-fluorophenyl)thiourea
CID 3372994
2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol
CID 135401303
3-{N'-[(E)-(2,4-Dihydroxyphenyl)methylidene]hydrazinecarbonyl}-N-(4-fluorophenyl)propanamide
CID 135421766
4-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,3-diol
CID 135519910
4-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]benzene-1,3-diol
CID 137292524
2-[(E)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]-5-methoxyphenol
CID 135520001

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol (CID 135730451) is 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol is Oc1ccc(/C=N/Nc2ccc(F)cc2)c(O)c1.
What is the InChIKey of 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is BVEIIKSCYWADSA-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H11FN2O2/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-fluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol?
4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 246.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 135730451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).