2-[(E)-(phenylhydrazinylidene)methyl]phenol

C13H12N2O — CID 135401296

IUPAC2-[(E)-(phenylhydrazinylidene)methyl]phenol
SMILESOc1ccccc1/C=N/Nc1ccccc1
InChIInChI=1S/C13H12N2O/c16-13-9-5-4-6-11(13)10-14-15-12-7-2-1-3-8-12/h1-10,15-16H/b14-10+
InChIKeySERARPRVBWDEBA-GXDHUFHOSA-N
MW212.25 g/mol
LogP2.84
Rot. Bonds3

About 2-[(E)-(phenylhydrazinylidene)methyl]phenol

2-[(E)-(phenylhydrazinylidene)methyl]phenol (PubChem CID 135401296) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[(E)-(phenylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-[(E)-(phenylhydrazinylidene)methyl]phenol
PubChem CID135401296
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name2-[(E)-(phenylhydrazinylidene)methyl]phenol
SMILESOc1ccccc1/C=N/Nc1ccccc1
InChIInChI=1S/C13H12N2O/c16-13-9-5-4-6-11(13)10-14-15-12-7-2-1-3-8-12/h1-10,15-16H/b14-10+
InChIKeySERARPRVBWDEBA-GXDHUFHOSA-N
XLogP2.84
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(E)-(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

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(phenylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-[(E)-(phenylhydrazinylidene)methyl]phenol (CID 135401296) is 2-[(E)-(phenylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-[(E)-(phenylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-[(E)-(phenylhydrazinylidene)methyl]phenol is Oc1ccccc1/C=N/Nc1ccccc1.
What is the InChIKey of 2-[(E)-(phenylhydrazinylidene)methyl]phenol?
The InChIKey is SERARPRVBWDEBA-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H12N2O/c16-13-9-5-4-6-11(13)10-14-15-12-7-2-1-3-8-12/h1-10,15-16H/b14-10+.
What are the key properties of 2-[(E)-(phenylhydrazinylidene)methyl]phenol?
2-[(E)-(phenylhydrazinylidene)methyl]phenol has a molecular weight of 212.25 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(phenylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135401296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).