2-iodo-4-[(Z)-(phenylhydrazinylidene)methyl]phenol

C13H11IN2O — CID 137080181

IUPAC2-iodo-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
SMILESOc1ccc(/C=N\Nc2ccccc2)cc1I
InChIInChI=1S/C13H11IN2O/c14-12-8-10(6-7-13(12)17)9-15-16-11-4-2-1-3-5-11/h1-9,16-17H/b15-9-
InChIKeyAPBKNXIGEYXMIW-DHDCSXOGSA-N
MW338.15 g/mol
LogP3.44
Rot. Bonds3

About 2-iodo-4-[(Z)-(phenylhydrazinylidene)methyl]phenol

2-iodo-4-[(Z)-(phenylhydrazinylidene)methyl]phenol (PubChem CID 137080181) has the molecular formula C13H11IN2O and a molecular weight of 338.15 g/mol. Its IUPAC name is 2-iodo-4-[(Z)-(phenylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-iodo-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
PubChem CID137080181
Molecular FormulaC13H11IN2O
Molecular Weight338.15 g/mol
Exact Mass337.99
IUPAC Name2-iodo-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
SMILESOc1ccc(/C=N\Nc2ccccc2)cc1I
InChIInChI=1S/C13H11IN2O/c14-12-8-10(6-7-13(12)17)9-15-16-11-4-2-1-3-5-11/h1-9,16-17H/b15-9-
InChIKeyAPBKNXIGEYXMIW-DHDCSXOGSA-N
XLogP3.44
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-iodo-4-[(Z)-(phenylhydrazinylidene)methyl]phenol 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

2-bromo-4-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 135683062
N-[[3-iodo-4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 169384130
N-[(Z)-(3,5-diiodo-4-methylphenyl)methylideneamino]aniline
CID 71145982
2-tert-butyl-5-[(phenylhydrazinylidene)methyl]phenol
CID 169383629
2-iodo-6-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 137034388
2-iodo-6-methoxy-4-[(phenylhydrazinylidene)methyl]phenol
CID 169381560
N-[[3-iodo-4-(trifluoromethoxy)phenyl]methylideneamino]aniline
CID 169383769
N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline
CID 6107807
2-chloro-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 135642762
N-[(Z)-(4-phenylphenyl)methylideneamino]aniline
CID 5356673
N-[2-[2-[(4-hydroxy-3-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 171147926
1-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-3-(3-methylphenyl)urea
CID 137100184

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-[(Z)-(phenylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-iodo-4-[(Z)-(phenylhydrazinylidene)methyl]phenol (CID 137080181) is 2-iodo-4-[(Z)-(phenylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-iodo-4-[(Z)-(phenylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-iodo-4-[(Z)-(phenylhydrazinylidene)methyl]phenol is Oc1ccc(/C=N\Nc2ccccc2)cc1I.
What is the InChIKey of 2-iodo-4-[(Z)-(phenylhydrazinylidene)methyl]phenol?
The InChIKey is APBKNXIGEYXMIW-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H11IN2O/c14-12-8-10(6-7-13(12)17)9-15-16-11-4-2-1-3-5-11/h1-9,16-17H/b15-9-.
What are the key properties of 2-iodo-4-[(Z)-(phenylhydrazinylidene)methyl]phenol?
2-iodo-4-[(Z)-(phenylhydrazinylidene)methyl]phenol has a molecular weight of 338.15 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-[(Z)-(phenylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 137080181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).