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

C16H15F3N2O2 — CID 137317590

IUPAC5-methoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol
SMILESCOc1ccc(/C=N/NCc2ccc(C(F)(F)F)cc2)c(O)c1
InChIInChI=1S/C16H15F3N2O2/c1-23-14-7-4-12(15(22)8-14)10-21-20-9-11-2-5-13(6-3-11)16(17,18)19/h2-8,10,20,22H,9H2,1H3/b21-10+
InChIKeyDPEDCCURIYXZNW-UFFVCSGVSA-N
MW324.30 g/mol
LogP3.54
Rot. Bonds5

About 5-methoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol

5-methoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol (PubChem CID 137317590) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 5-methoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol
PubChem CID137317590
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name5-methoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol
SMILESCOc1ccc(/C=N/NCc2ccc(C(F)(F)F)cc2)c(O)c1
InChIInChI=1S/C16H15F3N2O2/c1-23-14-7-4-12(15(22)8-14)10-21-20-9-11-2-5-13(6-3-11)16(17,18)19/h2-8,10,20,22H,9H2,1H3/b21-10+
InChIKeyDPEDCCURIYXZNW-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-4-methoxy-phenyl)-meth-(E)-ylidene]-hydrazide
CID 136029182
4-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]benzene-1,3-diol
CID 137292524
2-(5-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)-4-fluorophenol
CID 3290278
(e)-5-Methoxy-2-((2-(4-(trifluoromethyl)phenyl)-hydrazono)methyl)phenol
CID 137224426
5-methoxy-2-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 145952041
Phenyl-thioacetic acid [1-(2-hydroxy-6-methoxy-phenyl)-meth-(E)-ylidene]-hydrazide
CID 136029179
2-[(E)-(naphthalen-2-ylmethylhydrazinylidene)methyl]-5-propoxyphenol
CID 137304510
4-methoxy-2-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol
CID 137304548
5-methoxy-2-[(E)-[(4-methylphenyl)methylhydrazinylidene]methyl]phenol
CID 137314309
5-propoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol
CID 137316429
2,6-difluoro-N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide
CID 135461983
N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide
CID 135497079

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol?
The IUPAC name of 5-methoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol (CID 137317590) is 5-methoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol.
What is the SMILES notation for 5-methoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol?
The canonical SMILES for 5-methoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol is COc1ccc(/C=N/NCc2ccc(C(F)(F)F)cc2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol?
The InChIKey is DPEDCCURIYXZNW-UFFVCSGVSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-23-14-7-4-12(15(22)8-14)10-21-20-9-11-2-5-13(6-3-11)16(17,18)19/h2-8,10,20,22H,9H2,1H3/b21-10+.
What are the key properties of 5-methoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol?
5-methoxy-2-[(E)-[[4-(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 5-methoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol is sourced from PubChem (CID 137317590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).