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

C13H11BrN2O — CID 135579027

IUPAC4-bromo-2-[(E)-(phenylhydrazinylidene)methyl]phenol
SMILESOc1ccc(Br)cc1/C=N/Nc1ccccc1
InChIInChI=1S/C13H11BrN2O/c14-11-6-7-13(17)10(8-11)9-15-16-12-4-2-1-3-5-12/h1-9,16-17H/b15-9+
InChIKeyCUHVDGAHCMUDKL-OQLLNIDSSA-N
MW291.15 g/mol
LogP3.60
Rot. Bonds3

About 4-bromo-2-[(E)-(phenylhydrazinylidene)methyl]phenol

4-bromo-2-[(E)-(phenylhydrazinylidene)methyl]phenol (PubChem CID 135579027) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 4-bromo-2-[(E)-(phenylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(E)-(phenylhydrazinylidene)methyl]phenol
PubChem CID135579027
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name4-bromo-2-[(E)-(phenylhydrazinylidene)methyl]phenol
SMILESOc1ccc(Br)cc1/C=N/Nc1ccccc1
InChIInChI=1S/C13H11BrN2O/c14-11-6-7-13(17)10(8-11)9-15-16-12-4-2-1-3-5-12/h1-9,16-17H/b15-9+
InChIKeyCUHVDGAHCMUDKL-OQLLNIDSSA-N
XLogP3.60
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 53.60
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'}

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Related Compounds

Salicylaldehyde phenylhydrazone
CID 135401296
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CID 135519945
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CID 13448
4-bromo-2-{(E)-[(2-fluorophenyl)imino]methyl}phenol
CID 710140
N-(5-Bromo-2-hydroxybenzylidene)-2-hydroxyaniline
CID 352427
2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol
CID 135401303
2-bromo-6-{(E)-[2-(3-methoxyphenyl)hydrazinylidene]methyl}phenol
CID 135635745
4-Bromo-2-tert-butyl-6-[[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 135971362
3,5-Dibromo-2-hydroxybenzaldehyde methyl(phenyl)hydrazone
CID 135458878
4-bromo-2-[(E)-(phenylimino)methyl]phenol
CID 305088
4-Bromo-2-(O-tolylimino-methyl)-phenol
CID 271522
Alpha-(3-bromophenylimino)-O-cresol
CID 4277662

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(E)-(phenylhydrazinylidene)methyl]phenol?
The IUPAC name of 4-bromo-2-[(E)-(phenylhydrazinylidene)methyl]phenol (CID 135579027) is 4-bromo-2-[(E)-(phenylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 4-bromo-2-[(E)-(phenylhydrazinylidene)methyl]phenol?
The canonical SMILES for 4-bromo-2-[(E)-(phenylhydrazinylidene)methyl]phenol is Oc1ccc(Br)cc1/C=N/Nc1ccccc1.
What is the InChIKey of 4-bromo-2-[(E)-(phenylhydrazinylidene)methyl]phenol?
The InChIKey is CUHVDGAHCMUDKL-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H11BrN2O/c14-11-6-7-13(17)10(8-11)9-15-16-12-4-2-1-3-5-12/h1-9,16-17H/b15-9+.
What are the key properties of 4-bromo-2-[(E)-(phenylhydrazinylidene)methyl]phenol?
4-bromo-2-[(E)-(phenylhydrazinylidene)methyl]phenol has a molecular weight of 291.15 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(E)-(phenylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135579027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).