2-[(E)-(1,3-diphenylbut-2-enylidenehydrazinylidene)methyl]phenol

C23H20N2O — CID 135751843

IUPAC2-[(E)-(1,3-diphenylbut-2-enylidenehydrazinylidene)methyl]phenol
SMILESCC(=CC(=N/N=C/c1ccccc1O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N2O/c1-18(19-10-4-2-5-11-19)16-22(20-12-6-3-7-13-20)25-24-17-21-14-8-9-15-23(21)26/h2-17,26H,1H3/b18-16?,24-17+,25-22?
InChIKeyKGFIXCIEGNPCNP-CRXHSFDGSA-N
MW340.43 g/mol
LogP5.32
Rot. Bonds5

About 2-[(E)-(1,3-diphenylbut-2-enylidenehydrazinylidene)methyl]phenol

2-[(E)-(1,3-diphenylbut-2-enylidenehydrazinylidene)methyl]phenol (PubChem CID 135751843) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[(E)-(1,3-diphenylbut-2-enylidenehydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-[(E)-(1,3-diphenylbut-2-enylidenehydrazinylidene)methyl]phenol
PubChem CID135751843
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name2-[(E)-(1,3-diphenylbut-2-enylidenehydrazinylidene)methyl]phenol
SMILESCC(=CC(=N/N=C/c1ccccc1O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N2O/c1-18(19-10-4-2-5-11-19)16-22(20-12-6-3-7-13-20)25-24-17-21-14-8-9-15-23(21)26/h2-17,26H,1H3/b18-16?,24-17+,25-22?
InChIKeyKGFIXCIEGNPCNP-CRXHSFDGSA-N
XLogP5.32
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.32
H-Bond Donors ≤ 51
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'}

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Related Compounds

2-[[(E)-1-pyridin-2-ylethylidenehydrazinylidene]methyl]phenol
CID 135735412
bis((NZ,Z)-N-[(2-hydroxyphenyl)methylidene]benzenecarbohydrazonothioate);nickel(2+)
CID 135409864
2-[(E)-[bis(methylsulfanyl)methylidenehydrazinylidene]methyl]phenol
CID 135545744
2-[(Z)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-C-methylcarbonimidoyl]benzoic acid
CID 177416207
3-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2-diol
CID 2127680
2-[(E)-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135478768
2-[1-[(2-hydroxyphenyl)methylideneamino]prop-1-enyliminomethyl]phenol
CID 173045611
2-[(E)-[(E)-[4-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylidenehydrazinylidene]methyl]phenol
CID 135911153
2-[[1-(4-nitrophenyl)ethylidenehydrazinylidene]methyl]phenol
CID 3815884
diaminomethylidene-[(Z)-[(E)-1,3-diphenylbut-2-enylidene]amino]azanium chloride
CID 135713874
1-hydroxy-2-[(2-hydroxyphenyl)methylideneamino]guanidine
CID 142114039
(1-amino-3-phenylbut-2-enylidene)urea
CID 57144193

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(1,3-diphenylbut-2-enylidenehydrazinylidene)methyl]phenol?
The IUPAC name of 2-[(E)-(1,3-diphenylbut-2-enylidenehydrazinylidene)methyl]phenol (CID 135751843) is 2-[(E)-(1,3-diphenylbut-2-enylidenehydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-[(E)-(1,3-diphenylbut-2-enylidenehydrazinylidene)methyl]phenol?
The canonical SMILES for 2-[(E)-(1,3-diphenylbut-2-enylidenehydrazinylidene)methyl]phenol is CC(=CC(=N/N=C/c1ccccc1O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(E)-(1,3-diphenylbut-2-enylidenehydrazinylidene)methyl]phenol?
The InChIKey is KGFIXCIEGNPCNP-CRXHSFDGSA-N. The full InChI is InChI=1S/C23H20N2O/c1-18(19-10-4-2-5-11-19)16-22(20-12-6-3-7-13-20)25-24-17-21-14-8-9-15-23(21)26/h2-17,26H,1H3/b18-16?,24-17+,25-22?.
What are the key properties of 2-[(E)-(1,3-diphenylbut-2-enylidenehydrazinylidene)methyl]phenol?
2-[(E)-(1,3-diphenylbut-2-enylidenehydrazinylidene)methyl]phenol has a molecular weight of 340.43 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(1,3-diphenylbut-2-enylidenehydrazinylidene)methyl]phenol is sourced from PubChem (CID 135751843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).