4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-bromo-6-methoxyphenol

C21H19BrN2O2 — CID 3415919

IUPAC4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-bromo-6-methoxyphenol
SMILESCOc1cc(C=NN(Cc2ccccc2)c2ccccc2)cc(Br)c1O
InChIInChI=1S/C21H19BrN2O2/c1-26-20-13-17(12-19(22)21(20)25)14-23-24(18-10-6-3-7-11-18)15-16-8-4-2-5-9-16/h2-14,25H,15H2,1H3
InChIKeyDTTIUPYFGOBOGK-UHFFFAOYSA-N
MW411.30 g/mol
LogP5.20
Rot. Bonds6

About 4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-bromo-6-methoxyphenol

4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-bromo-6-methoxyphenol (PubChem CID 3415919) has the molecular formula C21H19BrN2O2 and a molecular weight of 411.30 g/mol. Its IUPAC name is 4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-bromo-6-methoxyphenol.

Molecular Properties

Compound Name4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-bromo-6-methoxyphenol
PubChem CID3415919
Molecular FormulaC21H19BrN2O2
Molecular Weight411.30 g/mol
Exact Mass410.06
IUPAC Name4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-bromo-6-methoxyphenol
SMILESCOc1cc(C=NN(Cc2ccccc2)c2ccccc2)cc(Br)c1O
InChIInChI=1S/C21H19BrN2O2/c1-26-20-13-17(12-19(22)21(20)25)14-23-24(18-10-6-3-7-11-18)15-16-8-4-2-5-9-16/h2-14,25H,15H2,1H3
InChIKeyDTTIUPYFGOBOGK-UHFFFAOYSA-N
XLogP5.20
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.30
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 4245483
N-benzyl-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]aniline
CID 6047667
2,6-dimethoxy-4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol
CID 135779670
N-benzyl-N-[(E)-(3-methoxy-5-nitro-4-propan-2-yloxyphenyl)methylideneamino]aniline
CID 50887236
4-[(Z)-(4-benzylpiperazin-1-yl)iminomethyl]-2-bromo-6-methoxyphenol
CID 135895133
2-chloro-4-[(E)-(diphenylhydrazinylidene)methyl]-6-methoxyphenol
CID 135755057
2-bromo-4-[(4-ethylphenyl)iminomethyl]-6-methoxyphenol
CID 137021949
4-[(Z)-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-bromo-6-methoxyphenol
CID 137088966
2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 137162618
benzyl N-[2-[(2Z)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-N-methylcarbamate
CID 135909216
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-3,4,5-tris(phenylmethoxy)benzamide
CID 136899957
2-bromo-6-methoxy-4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol
CID 135576721

Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-bromo-6-methoxyphenol?
The IUPAC name of 4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-bromo-6-methoxyphenol (CID 3415919) is 4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-bromo-6-methoxyphenol.
What is the SMILES notation for 4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-bromo-6-methoxyphenol?
The canonical SMILES for 4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-bromo-6-methoxyphenol is COc1cc(C=NN(Cc2ccccc2)c2ccccc2)cc(Br)c1O.
What is the InChIKey of 4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-bromo-6-methoxyphenol?
The InChIKey is DTTIUPYFGOBOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O2/c1-26-20-13-17(12-19(22)21(20)25)14-23-24(18-10-6-3-7-11-18)15-16-8-4-2-5-9-16/h2-14,25H,15H2,1H3.
What are the key properties of 4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-bromo-6-methoxyphenol?
4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-bromo-6-methoxyphenol has a molecular weight of 411.30 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-bromo-6-methoxyphenol is sourced from PubChem (CID 3415919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).