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

C15H13F3N2O2 — CID 3556915

IUPAC4-methoxy-2-[[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
SMILESCOc1ccc(O)c(C=NNc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H13F3N2O2/c1-22-11-6-7-14(21)10(8-11)9-19-20-13-5-3-2-4-12(13)15(16,17)18/h2-9,20-21H,1H3
InChIKeyBYSIIRQXUDRXRP-UHFFFAOYSA-N
MW310.28 g/mol
LogP3.87
Rot. Bonds4

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

4-methoxy-2-[[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol (PubChem CID 3556915) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 4-methoxy-2-[[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
PubChem CID3556915
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC Name4-methoxy-2-[[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
SMILESCOc1ccc(O)c(C=NNc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H13F3N2O2/c1-22-11-6-7-14(21)10(8-11)9-19-20-13-5-3-2-4-12(13)15(16,17)18/h2-9,20-21H,1H3
InChIKeyBYSIIRQXUDRXRP-UHFFFAOYSA-N
XLogP3.87
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 53.87
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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The IUPAC name of 4-methoxy-2-[[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol (CID 3556915) is 4-methoxy-2-[[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-methoxy-2-[[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol is COc1ccc(O)c(C=NNc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 4-methoxy-2-[[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The InChIKey is BYSIIRQXUDRXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c1-22-11-6-7-14(21)10(8-11)9-19-20-13-5-3-2-4-12(13)15(16,17)18/h2-9,20-21H,1H3.
What are the key properties of 4-methoxy-2-[[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
4-methoxy-2-[[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol has a molecular weight of 310.28 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 3556915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).