[4-[1-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]-2-ethylphenyl]methanol

C25H30F3NO2 — CID 91227163

IUPAC[4-[1-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]-2-ethylphenyl]methanol
SMILESC=C(NOCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CO)c(CC)c1
InChIInChI=1S/C25H30F3NO2/c1-3-19-14-21(10-11-22(19)15-30)17(2)29-31-16-18-9-12-23(20-7-5-4-6-8-20)24(13-18)25(26,27)28/h9-14,20,29-30H,2-8,15-16H2,1H3
InChIKeyUMPGLJLSXCGAOF-UHFFFAOYSA-N
MW433.51 g/mol
LogP6.50
Rot. Bonds8

About [4-[1-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]-2-ethylphenyl]methanol

[4-[1-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]-2-ethylphenyl]methanol (PubChem CID 91227163) has the molecular formula C25H30F3NO2 and a molecular weight of 433.51 g/mol. Its IUPAC name is [4-[1-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]-2-ethylphenyl]methanol.

Molecular Properties

Compound Name[4-[1-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]-2-ethylphenyl]methanol
PubChem CID91227163
Molecular FormulaC25H30F3NO2
Molecular Weight433.51 g/mol
Exact Mass433.22
IUPAC Name[4-[1-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]-2-ethylphenyl]methanol
SMILESC=C(NOCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CO)c(CC)c1
InChIInChI=1S/C25H30F3NO2/c1-3-19-14-21(10-11-22(19)15-30)17(2)29-31-16-18-9-12-23(20-7-5-4-6-8-20)24(13-18)25(26,27)28/h9-14,20,29-30H,2-8,15-16H2,1H3
InChIKeyUMPGLJLSXCGAOF-UHFFFAOYSA-N
XLogP6.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[1-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]-2-ethylphenyl]methanol?
The IUPAC name of [4-[1-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]-2-ethylphenyl]methanol (CID 91227163) is [4-[1-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]-2-ethylphenyl]methanol.
What is the SMILES notation for [4-[1-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]-2-ethylphenyl]methanol?
The canonical SMILES for [4-[1-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]-2-ethylphenyl]methanol is C=C(NOCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CO)c(CC)c1.
What is the InChIKey of [4-[1-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]-2-ethylphenyl]methanol?
The InChIKey is UMPGLJLSXCGAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3NO2/c1-3-19-14-21(10-11-22(19)15-30)17(2)29-31-16-18-9-12-23(20-7-5-4-6-8-20)24(13-18)25(26,27)28/h9-14,20,29-30H,2-8,15-16H2,1H3.
What are the key properties of [4-[1-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]-2-ethylphenyl]methanol?
[4-[1-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]-2-ethylphenyl]methanol has a molecular weight of 433.51 g/mol, XLogP of 6.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]-2-ethylphenyl]methanol is sourced from PubChem (CID 91227163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).