4-methoxy-2-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol

C16H15F3N2O2 — CID 137304548

IUPAC4-methoxy-2-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol
SMILESCOc1ccc(O)c(/C=N/NCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H15F3N2O2/c1-23-14-5-6-15(22)12(8-14)10-21-20-9-11-3-2-4-13(7-11)16(17,18)19/h2-8,10,20,22H,9H2,1H3/b21-10+
InChIKeyBJODVTQJGABQCZ-UFFVCSGVSA-N
MW324.30 g/mol
LogP3.54
Rot. Bonds5

About 4-methoxy-2-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol

4-methoxy-2-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol (PubChem CID 137304548) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 4-methoxy-2-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol
PubChem CID137304548
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name4-methoxy-2-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol
SMILESCOc1ccc(O)c(/C=N/NCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H15F3N2O2/c1-23-14-5-6-15(22)12(8-14)10-21-20-9-11-3-2-4-13(7-11)16(17,18)19/h2-8,10,20,22H,9H2,1H3/b21-10+
InChIKeyBJODVTQJGABQCZ-UFFVCSGVSA-N
XLogP3.54
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

Phenyl-thioacetic acid [1-(2-hydroxy-5-methoxy-phenyl)-meth-(E)-ylidene]-hydrazide
CID 136029185
N-Phenyl-N'-(2-hydroxy-5-methoxybenzylidene) hydrazine
CID 135580742
Phenyl-thioacetic acid [1-(2-hydroxy-5-trifluoromethoxy-phenyl)-meth-(E)-ylidene]-hydrazide
CID 136029183
2-[5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol
CID 135657548
5-methoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol
CID 137317590
4-methoxy-2-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 135491062
2-[[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]methyl]-6-methoxyphenol
CID 137288425
2-[(5R)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol
CID 942316
2-[(5S)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol
CID 942317
4-Methoxy-2-[[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 3556915
N-[(2,5-dimethoxyphenyl)methylideneamino]-2,3,4,5,6-pentafluoroaniline
CID 3577892
2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol
CID 3922698

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol?
The IUPAC name of 4-methoxy-2-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol (CID 137304548) is 4-methoxy-2-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol?
The canonical SMILES for 4-methoxy-2-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol is COc1ccc(O)c(/C=N/NCc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 4-methoxy-2-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol?
The InChIKey is BJODVTQJGABQCZ-UFFVCSGVSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-23-14-5-6-15(22)12(8-14)10-21-20-9-11-3-2-4-13(7-11)16(17,18)19/h2-8,10,20,22H,9H2,1H3/b21-10+.
What are the key properties of 4-methoxy-2-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol?
4-methoxy-2-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol has a molecular weight of 324.30 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol is sourced from PubChem (CID 137304548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).