4-bromo-2-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol

C13H8BrCl3N2O — CID 136705021

IUPAC4-bromo-2-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(Br)cc1/C=N\Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H8BrCl3N2O/c14-8-1-2-12(20)7(3-8)6-18-19-13-10(16)4-9(15)5-11(13)17/h1-6,19-20H/b18-6-
InChIKeyUTPRIMKEZHMSFA-FXBPXSCXSA-N
MW394.48 g/mol
LogP5.56
Rot. Bonds3

About 4-bromo-2-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol

4-bromo-2-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol (PubChem CID 136705021) has the molecular formula C13H8BrCl3N2O and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-bromo-2-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
PubChem CID136705021
Molecular FormulaC13H8BrCl3N2O
Molecular Weight394.48 g/mol
Exact Mass391.89
IUPAC Name4-bromo-2-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(Br)cc1/C=N\Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H8BrCl3N2O/c14-8-1-2-12(20)7(3-8)6-18-19-13-10(16)4-9(15)5-11(13)17/h1-6,19-20H/b18-6-
InChIKeyUTPRIMKEZHMSFA-FXBPXSCXSA-N
XLogP5.56
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.56
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

4-bromo-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 135576325
2,4-dibromo-6-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 135717168
4-nitro-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 135514277
2-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-4,6-dichlorophenol
CID 177477020
N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2,6-dichloro-4-(trifluoromethyl)aniline
CID 46949285
4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 2841375
4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]phenol
CID 780549
4-bromo-2-[(E)-C-methyl-N-(2,4,6-trichloroanilino)carbonimidoyl]phenol
CID 135445548
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzamide
CID 136766998
1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 136870132
4-bromo-2-[(Z)-[[4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 136816742
4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136867347

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-bromo-2-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol (CID 136705021) is 4-bromo-2-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-bromo-2-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-bromo-2-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol is Oc1ccc(Br)cc1/C=N\Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 4-bromo-2-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is UTPRIMKEZHMSFA-FXBPXSCXSA-N. The full InChI is InChI=1S/C13H8BrCl3N2O/c14-8-1-2-12(20)7(3-8)6-18-19-13-10(16)4-9(15)5-11(13)17/h1-6,19-20H/b18-6-.
What are the key properties of 4-bromo-2-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol?
4-bromo-2-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 394.48 g/mol, XLogP of 5.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136705021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).