4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol

C16H16N2O — CID 135911670

IUPAC4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol
SMILESCC(/C=C/c1ccc(O)cc1)=NNc1ccccc1
InChIInChI=1S/C16H16N2O/c1-13(17-18-15-5-3-2-4-6-15)7-8-14-9-11-16(19)12-10-14/h2-12,18-19H,1H3/b8-7+,17-13?
InChIKeyULOARKXXWIYQHW-VTFOCUPDSA-N
MW252.32 g/mol
LogP3.89
Rot. Bonds4

About 4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol

4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol (PubChem CID 135911670) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol.

Molecular Properties

Compound Name4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol
PubChem CID135911670
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol
SMILESCC(/C=C/c1ccc(O)cc1)=NNc1ccccc1
InChIInChI=1S/C16H16N2O/c1-13(17-18-15-5-3-2-4-6-15)7-8-14-9-11-16(19)12-10-14/h2-12,18-19H,1H3/b8-7+,17-13?
InChIKeyULOARKXXWIYQHW-VTFOCUPDSA-N
XLogP3.89
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-(4-Aminophenyl)ethenyl]phenol
CID 5375988
Salicylaldehyde phenylhydrazone
CID 135401296
N-Phenyl-N'-(4-hydroxybenzylidene) hydrazine
CID 135519945
4-[(E)-C-methyl-N-[3-(trifluoromethyl)anilino]carbonimidoyl]phenol
CID 135519978
2-[(E)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]phenol
CID 135519991
4-{(1E)-1-[2-(2-nitrophenyl)hydrazinylidene]propyl}phenol
CID 135455069
2-[N-anilino-C-(2-hydroxyphenyl)carbonimidoyl]phenol
CID 266986
2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol
CID 135401303
(1E)-1-(4-hydroxyphenyl)ethanone (4-nitrophenyl)hydrazone
CID 135440580
4-(1-(2,2-Diphenylhydrazineylidene)ethyl)phenol
CID 135676326
N-[(E)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]aniline
CID 35213248
2-methoxy-4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol
CID 135911671

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol?
The IUPAC name of 4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol (CID 135911670) is 4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol.
What is the SMILES notation for 4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol?
The canonical SMILES for 4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol is CC(/C=C/c1ccc(O)cc1)=NNc1ccccc1.
What is the InChIKey of 4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol?
The InChIKey is ULOARKXXWIYQHW-VTFOCUPDSA-N. The full InChI is InChI=1S/C16H16N2O/c1-13(17-18-15-5-3-2-4-6-15)7-8-14-9-11-16(19)12-10-14/h2-12,18-19H,1H3/b8-7+,17-13?.
What are the key properties of 4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol?
4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol has a molecular weight of 252.32 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol is sourced from PubChem (CID 135911670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).