4-nitro-2-[(4-propan-2-ylphenyl)iminomethyl]phenol

C16H16N2O3 — CID 135595250

IUPAC4-nitro-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
SMILESCC(C)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C16H16N2O3/c1-11(2)12-3-5-14(6-4-12)17-10-13-9-15(18(20)21)7-8-16(13)19/h3-11,19H,1-2H3/b17-10+
InChIKeyOCPYPRIFFJCRBF-LICLKQGHSA-N
MW284.32 g/mol
LogP4.17
Rot. Bonds4

About 4-nitro-2-[(4-propan-2-ylphenyl)iminomethyl]phenol

4-nitro-2-[(4-propan-2-ylphenyl)iminomethyl]phenol (PubChem CID 135595250) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-nitro-2-[(4-propan-2-ylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-nitro-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
PubChem CID135595250
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name4-nitro-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
SMILESCC(C)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C16H16N2O3/c1-11(2)12-3-5-14(6-4-12)17-10-13-9-15(18(20)21)7-8-16(13)19/h3-11,19H,1-2H3/b17-10+
InChIKeyOCPYPRIFFJCRBF-LICLKQGHSA-N
XLogP4.17
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[[4-[(2R)-butan-2-yl]phenyl]iminomethyl]-4-nitrophenol
CID 137043484
2-[(4-ethoxyphenyl)iminomethyl]-4-nitrophenol
CID 710256
1-(2-chloro-5-nitrophenyl)-N-[4-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]phenyl]methanimine
CID 3109084
1-(2-chloro-5-nitrophenyl)-N-(4-chlorophenyl)methanimine
CID 792217
2-(3H-benzimidazol-5-yliminomethyl)-4-nitrophenol
CID 3094369
4-phenyldiazenyl-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 137158226
2-[(3-methylsulfonylphenyl)iminomethyl]-4-nitrophenol
CID 135855366
1-(2-chloro-5-nitrophenyl)-N-(4-fluorophenyl)methanimine
CID 792316
2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol
CID 3111519
4-[(2-chloro-5-nitrophenyl)methylideneamino]-N,N-dimethylaniline
CID 126104463
2-chloro-N,N-diethyl-5-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 135596128
N-[3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]acetamide
CID 758520

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-[(4-propan-2-ylphenyl)iminomethyl]phenol?
The IUPAC name of 4-nitro-2-[(4-propan-2-ylphenyl)iminomethyl]phenol (CID 135595250) is 4-nitro-2-[(4-propan-2-ylphenyl)iminomethyl]phenol.
What is the SMILES notation for 4-nitro-2-[(4-propan-2-ylphenyl)iminomethyl]phenol?
The canonical SMILES for 4-nitro-2-[(4-propan-2-ylphenyl)iminomethyl]phenol is CC(C)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1.
What is the InChIKey of 4-nitro-2-[(4-propan-2-ylphenyl)iminomethyl]phenol?
The InChIKey is OCPYPRIFFJCRBF-LICLKQGHSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11(2)12-3-5-14(6-4-12)17-10-13-9-15(18(20)21)7-8-16(13)19/h3-11,19H,1-2H3/b17-10+.
What are the key properties of 4-nitro-2-[(4-propan-2-ylphenyl)iminomethyl]phenol?
4-nitro-2-[(4-propan-2-ylphenyl)iminomethyl]phenol has a molecular weight of 284.32 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-[(4-propan-2-ylphenyl)iminomethyl]phenol is sourced from PubChem (CID 135595250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).