5-[(E)-N-[(3-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol

C17H18FNO2 — CID 88566945

IUPAC5-[(E)-N-[(3-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol
SMILESC/C(=N\OCc1ccc(C)c(F)c1)c1ccc(C)c(O)c1
InChIInChI=1S/C17H18FNO2/c1-11-4-6-14(8-16(11)18)10-21-19-13(3)15-7-5-12(2)17(20)9-15/h4-9,20H,10H2,1-3H3/b19-13+
InChIKeyQPSOBZHTVVLBFB-CPNJWEJPSA-N
MW287.33 g/mol
LogP4.09
Rot. Bonds4

About 5-[(E)-N-[(3-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol

5-[(E)-N-[(3-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol (PubChem CID 88566945) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 5-[(E)-N-[(3-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol.

Molecular Properties

Compound Name5-[(E)-N-[(3-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol
PubChem CID88566945
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name5-[(E)-N-[(3-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol
SMILESC/C(=N\OCc1ccc(C)c(F)c1)c1ccc(C)c(O)c1
InChIInChI=1S/C17H18FNO2/c1-11-4-6-14(8-16(11)18)10-21-19-13(3)15-7-5-12(2)17(20)9-15/h4-9,20H,10H2,1-3H3/b19-13+
InChIKeyQPSOBZHTVVLBFB-CPNJWEJPSA-N
XLogP4.09
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 5-[(E)-N-[(3-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol?
The IUPAC name of 5-[(E)-N-[(3-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol (CID 88566945) is 5-[(E)-N-[(3-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol.
What is the SMILES notation for 5-[(E)-N-[(3-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol?
The canonical SMILES for 5-[(E)-N-[(3-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol is C/C(=N\OCc1ccc(C)c(F)c1)c1ccc(C)c(O)c1.
What is the InChIKey of 5-[(E)-N-[(3-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol?
The InChIKey is QPSOBZHTVVLBFB-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-11-4-6-14(8-16(11)18)10-21-19-13(3)15-7-5-12(2)17(20)9-15/h4-9,20H,10H2,1-3H3/b19-13+.
What are the key properties of 5-[(E)-N-[(3-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol?
5-[(E)-N-[(3-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol has a molecular weight of 287.33 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-N-[(3-fluoro-4-methylphenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenol is sourced from PubChem (CID 88566945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).