4-tert-butyl-2-[2-(2-nitrophenyl)hydrazinyl]phenol

C16H19N3O3 — CID 71446292

IUPAC4-tert-butyl-2-[2-(2-nitrophenyl)hydrazinyl]phenol
SMILESCC(C)(C)c1ccc(O)c(NNc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C16H19N3O3/c1-16(2,3)11-8-9-15(20)13(10-11)18-17-12-6-4-5-7-14(12)19(21)22/h4-10,17-18,20H,1-3H3
InChIKeyBPKPNKPXPKNAKL-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.04
Rot. Bonds4

About 4-tert-butyl-2-[2-(2-nitrophenyl)hydrazinyl]phenol

4-tert-butyl-2-[2-(2-nitrophenyl)hydrazinyl]phenol (PubChem CID 71446292) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-tert-butyl-2-[2-(2-nitrophenyl)hydrazinyl]phenol.

Molecular Properties

Compound Name4-tert-butyl-2-[2-(2-nitrophenyl)hydrazinyl]phenol
PubChem CID71446292
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name4-tert-butyl-2-[2-(2-nitrophenyl)hydrazinyl]phenol
SMILESCC(C)(C)c1ccc(O)c(NNc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C16H19N3O3/c1-16(2,3)11-8-9-15(20)13(10-11)18-17-12-6-4-5-7-14(12)19(21)22/h4-10,17-18,20H,1-3H3
InChIKeyBPKPNKPXPKNAKL-UHFFFAOYSA-N
XLogP4.04
TPSA87.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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

2,6-dibromo-4-tert-butyl-N-(2-nitrophenyl)aniline
CID 170690718
N-[2-(3,4-dimethylphenyl)propan-2-yl]-2-nitroaniline
CID 175324167
CID 171371571
CID 171371571
1-chloro-2-(2-nitrophenyl)hydrazine
CID 88943642
4-tert-butyl-N-(2-nitrophenyl)-2,6-diphenylaniline
CID 164786582
4-[2-[4-[2-(4-hydroxy-3-nitrophenyl)propan-2-yl]phenyl]propan-2-yl]-2-nitrophenol
CID 19356840
1-(5-tert-butyl-2-hydroxyphenyl)-3-(3-nitrophenyl)thiourea
CID 17381101
N'-(2-nitrophenyl)benzohydrazide
CID 3718054
4-[1-(3-tert-butylphenyl)-2,2,2-trifluoro-1-(4-hydroxy-3-nitrophenyl)ethyl]-2-nitrophenol
CID 141179078
methanol;2-nitrophenol
CID 157303764
N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide
CID 10524086
2-(4-tert-butylphenoxy)-N-(2-nitrophenyl)acetamide
CID 2787302

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[2-(2-nitrophenyl)hydrazinyl]phenol?
The IUPAC name of 4-tert-butyl-2-[2-(2-nitrophenyl)hydrazinyl]phenol (CID 71446292) is 4-tert-butyl-2-[2-(2-nitrophenyl)hydrazinyl]phenol.
What is the SMILES notation for 4-tert-butyl-2-[2-(2-nitrophenyl)hydrazinyl]phenol?
The canonical SMILES for 4-tert-butyl-2-[2-(2-nitrophenyl)hydrazinyl]phenol is CC(C)(C)c1ccc(O)c(NNc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 4-tert-butyl-2-[2-(2-nitrophenyl)hydrazinyl]phenol?
The InChIKey is BPKPNKPXPKNAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-16(2,3)11-8-9-15(20)13(10-11)18-17-12-6-4-5-7-14(12)19(21)22/h4-10,17-18,20H,1-3H3.
What are the key properties of 4-tert-butyl-2-[2-(2-nitrophenyl)hydrazinyl]phenol?
4-tert-butyl-2-[2-(2-nitrophenyl)hydrazinyl]phenol has a molecular weight of 301.35 g/mol, XLogP of 4.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[2-(2-nitrophenyl)hydrazinyl]phenol is sourced from PubChem (CID 71446292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).