4-bromo-2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol

C14H11BrCl2N2O2 — CID 136704655

IUPAC4-bromo-2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cc(Br)cc(C=NNc2ccc(Cl)c(Cl)c2)c1O
InChIInChI=1S/C14H11BrCl2N2O2/c1-21-13-5-9(15)4-8(14(13)20)7-18-19-10-2-3-11(16)12(17)6-10/h2-7,19-20H,1H3
InChIKeyPIBCCOLHFSJCSU-UHFFFAOYSA-N
MW390.06 g/mol
LogP4.92
Rot. Bonds4

About 4-bromo-2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol

4-bromo-2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol (PubChem CID 136704655) has the molecular formula C14H11BrCl2N2O2 and a molecular weight of 390.06 g/mol. Its IUPAC name is 4-bromo-2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name4-bromo-2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol
PubChem CID136704655
Molecular FormulaC14H11BrCl2N2O2
Molecular Weight390.06 g/mol
Exact Mass387.94
IUPAC Name4-bromo-2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cc(Br)cc(C=NNc2ccc(Cl)c(Cl)c2)c1O
InChIInChI=1S/C14H11BrCl2N2O2/c1-21-13-5-9(15)4-8(14(13)20)7-18-19-10-2-3-11(16)12(17)6-10/h2-7,19-20H,1H3
InChIKeyPIBCCOLHFSJCSU-UHFFFAOYSA-N
XLogP4.92
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.06
LogP ≤ 54.92
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

N'-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3,4-dichlorophenyl)propanediamide
CID 135679057
2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-6-methoxy-4-nitrophenol
CID 136704644
3,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]aniline
CID 7979466
4-bromo-2-[[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol
CID 4244298
4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 135567955
N-[3-[(2E)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-3,4-dichlorobenzamide
CID 135613435
N'-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-chloro-4-methylphenyl)propanediamide
CID 4529232
4-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one
CID 136926282
5-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one
CID 136787477
2-[(2E)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 135713651
4-bromo-2-[(3-chloro-4-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135592590
4-bromo-2-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]-6-methoxyphenol
CID 135538935

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol?
The IUPAC name of 4-bromo-2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol (CID 136704655) is 4-bromo-2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol.
What is the SMILES notation for 4-bromo-2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol?
The canonical SMILES for 4-bromo-2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol is COc1cc(Br)cc(C=NNc2ccc(Cl)c(Cl)c2)c1O.
What is the InChIKey of 4-bromo-2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol?
The InChIKey is PIBCCOLHFSJCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N2O2/c1-21-13-5-9(15)4-8(14(13)20)7-18-19-10-2-3-11(16)12(17)6-10/h2-7,19-20H,1H3.
What are the key properties of 4-bromo-2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol?
4-bromo-2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol has a molecular weight of 390.06 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol is sourced from PubChem (CID 136704655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).