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

C18H19F3N2O2 — CID 137316429

IUPAC5-propoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol
SMILESCCCOc1ccc(/C=N/NCc2ccc(C(F)(F)F)cc2)c(O)c1
InChIInChI=1S/C18H19F3N2O2/c1-2-9-25-16-8-5-14(17(24)10-16)12-23-22-11-13-3-6-15(7-4-13)18(19,20)21/h3-8,10,12,22,24H,2,9,11H2,1H3/b23-12+
InChIKeyFTFWLVWXBASICJ-FSJBWODESA-N
MW352.36 g/mol
LogP4.32
Rot. Bonds7

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

5-propoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol (PubChem CID 137316429) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 5-propoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name5-propoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol
PubChem CID137316429
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name5-propoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol
SMILESCCCOc1ccc(/C=N/NCc2ccc(C(F)(F)F)cc2)c(O)c1
InChIInChI=1S/C18H19F3N2O2/c1-2-9-25-16-8-5-14(17(24)10-16)12-23-22-11-13-3-6-15(7-4-13)18(19,20)21/h3-8,10,12,22,24H,2,9,11H2,1H3/b23-12+
InChIKeyFTFWLVWXBASICJ-FSJBWODESA-N
XLogP4.32
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 54.32
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
2-[(E)-(naphthalen-2-ylmethylhydrazinylidene)methyl]-5-propoxyphenol
CID 137304510
5-methoxy-2-[(E)-[(4-methylphenyl)methylhydrazinylidene]methyl]phenol
CID 137314309
2-[(E)-[(3,4-dichlorophenyl)methylhydrazinylidene]methyl]-5-ethoxyphenol
CID 137316385
5-methoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol
CID 137317590
N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide
CID 135497079
2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-methoxyphenol
CID 2936761
1-[(E)-(2,4,6-triethoxyphenyl)methylideneamino]-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 20314431
1-[(2,4,6-Triethoxyphenyl)methylideneamino]-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 53699972

Frequently Asked Questions

What is the IUPAC name of 5-propoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol?
The IUPAC name of 5-propoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol (CID 137316429) is 5-propoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol.
What is the SMILES notation for 5-propoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol?
The canonical SMILES for 5-propoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol is CCCOc1ccc(/C=N/NCc2ccc(C(F)(F)F)cc2)c(O)c1.
What is the InChIKey of 5-propoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol?
The InChIKey is FTFWLVWXBASICJ-FSJBWODESA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-2-9-25-16-8-5-14(17(24)10-16)12-23-22-11-13-3-6-15(7-4-13)18(19,20)21/h3-8,10,12,22,24H,2,9,11H2,1H3/b23-12+.
What are the key properties of 5-propoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol?
5-propoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol has a molecular weight of 352.36 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propoxy-2-[(E)-[[4-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol is sourced from PubChem (CID 137316429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).