4-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]phenol

C13H11BrN2O — CID 135891453

IUPAC4-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N\Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C13H11BrN2O/c14-11-3-5-12(6-4-11)16-15-9-10-1-7-13(17)8-2-10/h1-9,16-17H/b15-9-
InChIKeyCJKHXLXWGQGTQD-DHDCSXOGSA-N
MW291.15 g/mol
LogP3.60
Rot. Bonds3

About 4-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]phenol

4-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]phenol (PubChem CID 135891453) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 4-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]phenol
PubChem CID135891453
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name4-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N\Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C13H11BrN2O/c14-11-3-5-12(6-4-11)16-15-9-10-1-7-13(17)8-2-10/h1-9,16-17H/b15-9-
InChIKeyCJKHXLXWGQGTQD-DHDCSXOGSA-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_B(215)', '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

4-[[(4-chlorophenyl)hydrazinylidene]methyl]phenol;hydrochloride
CID 136666048
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 135510327
N-[(4-bromophenyl)methylideneamino]-4-(4-chlorophenoxy)aniline
CID 167431722
4-bromo-N-[(E)-(4-pyrazol-1-ylphenyl)methylideneamino]aniline
CID 155805956
4-[(Z)-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 136690415
N-[(4-bromophenyl)methylidene]hydroxylamine
CID 608088
4-bromo-N-[(E)-quinoxalin-6-ylmethylideneamino]aniline
CID 174698700
4-chloro-N-[(Z)-(4-chlorophenyl)methylideneamino]aniline
CID 5463108
4-[(2E)-2-[(4-pyridin-3-yloxyphenyl)methylidene]hydrazinyl]phenol
CID 143199920
2-bromo-4-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 135683062
N-[(4-bromophenyl)methylideneamino]-2,4-difluoroaniline
CID 4218945
4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 136712094

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]phenol (CID 135891453) is 4-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]phenol is Oc1ccc(/C=N\Nc2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is CJKHXLXWGQGTQD-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H11BrN2O/c14-11-3-5-12(6-4-11)16-15-9-10-1-7-13(17)8-2-10/h1-9,16-17H/b15-9-.
What are the key properties of 4-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]phenol?
4-[(Z)-[(4-bromophenyl)hydrazinylidene]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-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135891453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).