4-(4-fluorophenyl)-2-methyl-5-[(E)-C-methyl-N-[(4-methylphenyl)methoxy]carbonimidoyl]phenol

C23H22FNO2 — CID 88566953

IUPAC4-(4-fluorophenyl)-2-methyl-5-[(E)-C-methyl-N-[(4-methylphenyl)methoxy]carbonimidoyl]phenol
SMILESC/C(=N\OCc1ccc(C)cc1)c1cc(O)c(C)cc1-c1ccc(F)cc1
InChIInChI=1S/C23H22FNO2/c1-15-4-6-18(7-5-15)14-27-25-17(3)21-13-23(26)16(2)12-22(21)19-8-10-20(24)11-9-19/h4-13,26H,14H2,1-3H3/b25-17+
InChIKeyLKLOASKUAAWEDF-KOEQRZSOSA-N
MW363.43 g/mol
LogP5.76
Rot. Bonds5

About 4-(4-fluorophenyl)-2-methyl-5-[(E)-C-methyl-N-[(4-methylphenyl)methoxy]carbonimidoyl]phenol

4-(4-fluorophenyl)-2-methyl-5-[(E)-C-methyl-N-[(4-methylphenyl)methoxy]carbonimidoyl]phenol (PubChem CID 88566953) has the molecular formula C23H22FNO2 and a molecular weight of 363.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methyl-5-[(E)-C-methyl-N-[(4-methylphenyl)methoxy]carbonimidoyl]phenol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methyl-5-[(E)-C-methyl-N-[(4-methylphenyl)methoxy]carbonimidoyl]phenol
PubChem CID88566953
Molecular FormulaC23H22FNO2
Molecular Weight363.43 g/mol
Exact Mass363.16
IUPAC Name4-(4-fluorophenyl)-2-methyl-5-[(E)-C-methyl-N-[(4-methylphenyl)methoxy]carbonimidoyl]phenol
SMILESC/C(=N\OCc1ccc(C)cc1)c1cc(O)c(C)cc1-c1ccc(F)cc1
InChIInChI=1S/C23H22FNO2/c1-15-4-6-18(7-5-15)14-27-25-17(3)21-13-23(26)16(2)12-22(21)19-8-10-20(24)11-9-19/h4-13,26H,14H2,1-3H3/b25-17+
InChIKeyLKLOASKUAAWEDF-KOEQRZSOSA-N
XLogP5.76
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.43
LogP ≤ 55.76
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 4-(4-fluorophenyl)-2-methyl-5-[(E)-C-methyl-N-[(4-methylphenyl)methoxy]carbonimidoyl]phenol?
The IUPAC name of 4-(4-fluorophenyl)-2-methyl-5-[(E)-C-methyl-N-[(4-methylphenyl)methoxy]carbonimidoyl]phenol (CID 88566953) is 4-(4-fluorophenyl)-2-methyl-5-[(E)-C-methyl-N-[(4-methylphenyl)methoxy]carbonimidoyl]phenol.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methyl-5-[(E)-C-methyl-N-[(4-methylphenyl)methoxy]carbonimidoyl]phenol?
The canonical SMILES for 4-(4-fluorophenyl)-2-methyl-5-[(E)-C-methyl-N-[(4-methylphenyl)methoxy]carbonimidoyl]phenol is C/C(=N\OCc1ccc(C)cc1)c1cc(O)c(C)cc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-methyl-5-[(E)-C-methyl-N-[(4-methylphenyl)methoxy]carbonimidoyl]phenol?
The InChIKey is LKLOASKUAAWEDF-KOEQRZSOSA-N. The full InChI is InChI=1S/C23H22FNO2/c1-15-4-6-18(7-5-15)14-27-25-17(3)21-13-23(26)16(2)12-22(21)19-8-10-20(24)11-9-19/h4-13,26H,14H2,1-3H3/b25-17+.
What are the key properties of 4-(4-fluorophenyl)-2-methyl-5-[(E)-C-methyl-N-[(4-methylphenyl)methoxy]carbonimidoyl]phenol?
4-(4-fluorophenyl)-2-methyl-5-[(E)-C-methyl-N-[(4-methylphenyl)methoxy]carbonimidoyl]phenol has a molecular weight of 363.43 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methyl-5-[(E)-C-methyl-N-[(4-methylphenyl)methoxy]carbonimidoyl]phenol is sourced from PubChem (CID 88566953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).