4-bromo-2-tert-butyl-6-[[(4-nitrophenyl)hydrazinylidene]methyl]phenol

C17H18BrN3O3 — CID 135971362

IUPAC4-bromo-2-tert-butyl-6-[[(4-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESCC(C)(C)c1cc(Br)cc(C=NNc2ccc([N+](=O)[O-])cc2)c1O
InChIInChI=1S/C17H18BrN3O3/c1-17(2,3)15-9-12(18)8-11(16(15)22)10-19-20-13-4-6-14(7-5-13)21(23)24/h4-10,20,22H,1-3H3
InChIKeyUSHGIESNMRSEFA-UHFFFAOYSA-N
MW392.25 g/mol
LogP4.81
Rot. Bonds4

About 4-bromo-2-tert-butyl-6-[[(4-nitrophenyl)hydrazinylidene]methyl]phenol

4-bromo-2-tert-butyl-6-[[(4-nitrophenyl)hydrazinylidene]methyl]phenol (PubChem CID 135971362) has the molecular formula C17H18BrN3O3 and a molecular weight of 392.25 g/mol. Its IUPAC name is 4-bromo-2-tert-butyl-6-[[(4-nitrophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-tert-butyl-6-[[(4-nitrophenyl)hydrazinylidene]methyl]phenol
PubChem CID135971362
Molecular FormulaC17H18BrN3O3
Molecular Weight392.25 g/mol
Exact Mass391.05
IUPAC Name4-bromo-2-tert-butyl-6-[[(4-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESCC(C)(C)c1cc(Br)cc(C=NNc2ccc([N+](=O)[O-])cc2)c1O
InChIInChI=1S/C17H18BrN3O3/c1-17(2,3)15-9-12(18)8-11(16(15)22)10-19-20-13-4-6-14(7-5-13)21(23)24/h4-10,20,22H,1-3H3
InChIKeyUSHGIESNMRSEFA-UHFFFAOYSA-N
XLogP4.81
TPSA87.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-{(1E)-2-[(4-nitrophenyl)amino]-2-azavinyl}-4-bromophenol
CID 135559911
5-Bromo-2-hydroxybenzaldehyde phenylhydrazone
CID 135579027
2,4-dibromo-6-[(E)-[(4-nitrophenyl)hydrazono]methyl]phenol
CID 135607403
4-bromo-2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 135706749
2-tert-butyl-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 137100856
4-methyl-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 137100860
2-bromo-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 137100863
4-Bromo-2-[(phenylhydrazinylidene)methyl]phenol
CID 271520
4-bromo-2-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 135478702
3-Bromo-4-hydroxybenzaldehyde (4-nitrophenyl)hydrazone
CID 135403171
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-nitroaniline
CID 5349699
5-Bromo-2-hydroxy-3-nitrobenzaldehyde phenylhydrazone
CID 135614876

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-tert-butyl-6-[[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-bromo-2-tert-butyl-6-[[(4-nitrophenyl)hydrazinylidene]methyl]phenol (CID 135971362) is 4-bromo-2-tert-butyl-6-[[(4-nitrophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-bromo-2-tert-butyl-6-[[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-bromo-2-tert-butyl-6-[[(4-nitrophenyl)hydrazinylidene]methyl]phenol is CC(C)(C)c1cc(Br)cc(C=NNc2ccc([N+](=O)[O-])cc2)c1O.
What is the InChIKey of 4-bromo-2-tert-butyl-6-[[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is USHGIESNMRSEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O3/c1-17(2,3)15-9-12(18)8-11(16(15)22)10-19-20-13-4-6-14(7-5-13)21(23)24/h4-10,20,22H,1-3H3.
What are the key properties of 4-bromo-2-tert-butyl-6-[[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
4-bromo-2-tert-butyl-6-[[(4-nitrophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 392.25 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-tert-butyl-6-[[(4-nitrophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135971362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).