2-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-methoxyphenol

C14H13BrN2O2 — CID 135606976

IUPAC2-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/Nc2ccc(Br)cc2)c1
InChIInChI=1S/C14H13BrN2O2/c1-19-13-6-7-14(18)10(8-13)9-16-17-12-4-2-11(15)3-5-12/h2-9,17-18H,1H3/b16-9+
InChIKeyYNVZIOVYFHZCTP-CXUHLZMHSA-N
MW321.17 g/mol
LogP3.61
Rot. Bonds4

About 2-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-methoxyphenol

2-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-methoxyphenol (PubChem CID 135606976) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-methoxyphenol
PubChem CID135606976
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name2-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/Nc2ccc(Br)cc2)c1
InChIInChI=1S/C14H13BrN2O2/c1-19-13-6-7-14(18)10(8-13)9-16-17-12-4-2-11(15)3-5-12/h2-9,17-18H,1H3/b16-9+
InChIKeyYNVZIOVYFHZCTP-CXUHLZMHSA-N
XLogP3.61
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-bromoanilino)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135678709
1,2,3-tris[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]guanidine
CID 135699356
2-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol
CID 135636667
4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136867347
1-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-(3-methylphenyl)thiourea
CID 136782228
2-[2-(4-bromophenyl)sulfanylethyliminomethyl]-4-methoxyphenol
CID 135596106
2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-4-methoxyphenol
CID 3287632
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 135957637
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 135650786
2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol
CID 136691106
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 135679505
1-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-(2-methoxyethyl)thiourea
CID 5237281

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-methoxyphenol?
The IUPAC name of 2-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-methoxyphenol (CID 135606976) is 2-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-methoxyphenol?
The canonical SMILES for 2-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-methoxyphenol is COc1ccc(O)c(/C=N/Nc2ccc(Br)cc2)c1.
What is the InChIKey of 2-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-methoxyphenol?
The InChIKey is YNVZIOVYFHZCTP-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-19-13-6-7-14(18)10(8-13)9-16-17-12-4-2-11(15)3-5-12/h2-9,17-18H,1H3/b16-9+.
What are the key properties of 2-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-methoxyphenol?
2-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-methoxyphenol has a molecular weight of 321.17 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-methoxyphenol is sourced from PubChem (CID 135606976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).