4-methoxy-2-[[[4-nitro-2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol

C15H12F3N3O4 — CID 4050395

IUPAC4-methoxy-2-[[[4-nitro-2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
SMILESCOc1ccc(O)c(C=NNc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1
InChIInChI=1S/C15H12F3N3O4/c1-25-11-3-5-14(22)9(6-11)8-19-20-13-4-2-10(21(23)24)7-12(13)15(16,17)18/h2-8,20,22H,1H3
InChIKeyMLXJQNMZXSHOII-UHFFFAOYSA-N
MW355.27 g/mol
LogP3.77
Rot. Bonds5

About 4-methoxy-2-[[[4-nitro-2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol

4-methoxy-2-[[[4-nitro-2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol (PubChem CID 4050395) has the molecular formula C15H12F3N3O4 and a molecular weight of 355.27 g/mol. Its IUPAC name is 4-methoxy-2-[[[4-nitro-2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[[[4-nitro-2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
PubChem CID4050395
Molecular FormulaC15H12F3N3O4
Molecular Weight355.27 g/mol
Exact Mass355.08
IUPAC Name4-methoxy-2-[[[4-nitro-2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
SMILESCOc1ccc(O)c(C=NNc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1
InChIInChI=1S/C15H12F3N3O4/c1-25-11-3-5-14(22)9(6-11)8-19-20-13-4-2-10(21(23)24)7-12(13)15(16,17)18/h2-8,20,22H,1H3
InChIKeyMLXJQNMZXSHOII-UHFFFAOYSA-N
XLogP3.77
TPSA96.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze 4-methoxy-2-[[[4-nitro-2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-2-[(E)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135678800
2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-methoxyphenol
CID 4227419
4-methoxy-2-[[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 3464213
2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135537481
2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-4-methoxyphenol
CID 3287632
2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3400997
2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-methylphenol
CID 137129355
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 135716312
4-methoxy-2-[[(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazinylidene]methyl]phenol
CID 4251644
4-bromo-2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 137122714
2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol
CID 4595228
2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol
CID 135595595

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[[4-nitro-2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The IUPAC name of 4-methoxy-2-[[[4-nitro-2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol (CID 4050395) is 4-methoxy-2-[[[4-nitro-2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[[[4-nitro-2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-methoxy-2-[[[4-nitro-2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol is COc1ccc(O)c(C=NNc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1.
What is the InChIKey of 4-methoxy-2-[[[4-nitro-2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The InChIKey is MLXJQNMZXSHOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O4/c1-25-11-3-5-14(22)9(6-11)8-19-20-13-4-2-10(21(23)24)7-12(13)15(16,17)18/h2-8,20,22H,1H3.
What are the key properties of 4-methoxy-2-[[[4-nitro-2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
4-methoxy-2-[[[4-nitro-2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol has a molecular weight of 355.27 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[[4-nitro-2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 4050395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).