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

C13H11BrN2O — CID 135683062

IUPAC2-bromo-4-[(E)-(phenylhydrazinylidene)methyl]phenol
SMILESOc1ccc(/C=N/Nc2ccccc2)cc1Br
InChIInChI=1S/C13H11BrN2O/c14-12-8-10(6-7-13(12)17)9-15-16-11-4-2-1-3-5-11/h1-9,16-17H/b15-9+
InChIKeyYNYPKCPLMKNSDV-OQLLNIDSSA-N
MW291.15 g/mol
LogP3.60
Rot. Bonds3

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

2-bromo-4-[(E)-(phenylhydrazinylidene)methyl]phenol (PubChem CID 135683062) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 2-bromo-4-[(E)-(phenylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[(E)-(phenylhydrazinylidene)methyl]phenol
PubChem CID135683062
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name2-bromo-4-[(E)-(phenylhydrazinylidene)methyl]phenol
SMILESOc1ccc(/C=N/Nc2ccccc2)cc1Br
InChIInChI=1S/C13H11BrN2O/c14-12-8-10(6-7-13(12)17)9-15-16-11-4-2-1-3-5-11/h1-9,16-17H/b15-9+
InChIKeyYNYPKCPLMKNSDV-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_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

2-iodo-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 137080181
2-bromo-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 136913851
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline
CID 6073337
2-tert-butyl-5-[(phenylhydrazinylidene)methyl]phenol
CID 169383629
2-bromo-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol
CID 137031247
2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136852060
N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline
CID 6107807
2,4,6-tribromo-3-[(phenylhydrazinylidene)methyl]phenol
CID 169381666
N-[(Z)-(4-phenylphenyl)methylideneamino]aniline
CID 5356673
1-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea
CID 136781887
2-bromo-4-[(Z)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136822257
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-bromophenol
CID 168625614

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(E)-(phenylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-bromo-4-[(E)-(phenylhydrazinylidene)methyl]phenol (CID 135683062) is 2-bromo-4-[(E)-(phenylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-bromo-4-[(E)-(phenylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-bromo-4-[(E)-(phenylhydrazinylidene)methyl]phenol is Oc1ccc(/C=N/Nc2ccccc2)cc1Br.
What is the InChIKey of 2-bromo-4-[(E)-(phenylhydrazinylidene)methyl]phenol?
The InChIKey is YNYPKCPLMKNSDV-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H11BrN2O/c14-12-8-10(6-7-13(12)17)9-15-16-11-4-2-1-3-5-11/h1-9,16-17H/b15-9+.
What are the key properties of 2-bromo-4-[(E)-(phenylhydrazinylidene)methyl]phenol?
2-bromo-4-[(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 2-bromo-4-[(E)-(phenylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135683062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).