2-methanehydrazonoyl-4-phenyldiazenylphenol

C13H12N4O — CID 168531348

IUPAC2-methanehydrazonoyl-4-phenyldiazenylphenol
SMILESNN=Cc1cc(/N=N/c2ccccc2)ccc1O
InChIInChI=1S/C13H12N4O/c14-15-9-10-8-12(6-7-13(10)18)17-16-11-4-2-1-3-5-11/h1-9,18H,14H2/b15-9?,17-16+
InChIKeyFBAXXDPIHFHQRZ-GPAUZLQNSA-N
MW240.27 g/mol
LogP3.10
Rot. Bonds3

About 2-methanehydrazonoyl-4-phenyldiazenylphenol

2-methanehydrazonoyl-4-phenyldiazenylphenol (PubChem CID 168531348) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-methanehydrazonoyl-4-phenyldiazenylphenol.

Molecular Properties

Compound Name2-methanehydrazonoyl-4-phenyldiazenylphenol
PubChem CID168531348
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name2-methanehydrazonoyl-4-phenyldiazenylphenol
SMILESNN=Cc1cc(/N=N/c2ccccc2)ccc1O
InChIInChI=1S/C13H12N4O/c14-15-9-10-8-12(6-7-13(10)18)17-16-11-4-2-1-3-5-11/h1-9,18H,14H2/b15-9?,17-16+
InChIKeyFBAXXDPIHFHQRZ-GPAUZLQNSA-N
XLogP3.10
TPSA83.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[[3-[(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-phenyldiazenylphenol
CID 136823529
2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-phenyldiazenylphenol
CID 136790243
4-phenyldiazenyl-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 137158226
N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]acetamide
CID 137023077
2-[[(1R)-1-naphthalen-1-ylethyl]iminomethyl]-4-phenyldiazenylphenol
CID 136745252
2-hydroxy-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-phenylacetamide
CID 135504378
4-fluoro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]benzamide
CID 135579258
4-phenyldiazenyl-2-[(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)iminomethyl]phenol
CID 4588127
copper;2-[(E)-hydrazinylidenemethyl]phenol;hydrate
CID 137286073
3-methanehydrazonoylnaphthalen-2-ol
CID 915671
5-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2852002
4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,2,3-triol
CID 136719331

Frequently Asked Questions

What is the IUPAC name of 2-methanehydrazonoyl-4-phenyldiazenylphenol?
The IUPAC name of 2-methanehydrazonoyl-4-phenyldiazenylphenol (CID 168531348) is 2-methanehydrazonoyl-4-phenyldiazenylphenol.
What is the SMILES notation for 2-methanehydrazonoyl-4-phenyldiazenylphenol?
The canonical SMILES for 2-methanehydrazonoyl-4-phenyldiazenylphenol is NN=Cc1cc(/N=N/c2ccccc2)ccc1O.
What is the InChIKey of 2-methanehydrazonoyl-4-phenyldiazenylphenol?
The InChIKey is FBAXXDPIHFHQRZ-GPAUZLQNSA-N. The full InChI is InChI=1S/C13H12N4O/c14-15-9-10-8-12(6-7-13(10)18)17-16-11-4-2-1-3-5-11/h1-9,18H,14H2/b15-9?,17-16+.
What are the key properties of 2-methanehydrazonoyl-4-phenyldiazenylphenol?
2-methanehydrazonoyl-4-phenyldiazenylphenol has a molecular weight of 240.27 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanehydrazonoyl-4-phenyldiazenylphenol is sourced from PubChem (CID 168531348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).