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

C23H20F3NO2 — CID 90981218

IUPAC[4-[1-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]methanol
SMILESC=C(NOCc1ccc(-c2ccccc2)c(C(F)(F)F)c1)c1ccc(CO)cc1
InChIInChI=1S/C23H20F3NO2/c1-16(19-10-7-17(14-28)8-11-19)27-29-15-18-9-12-21(20-5-3-2-4-6-20)22(13-18)23(24,25)26/h2-13,27-28H,1,14-15H2
InChIKeyORWBQMALQNZLSP-UHFFFAOYSA-N
MW399.41 g/mol
LogP5.56
Rot. Bonds7

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

[4-[1-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]methanol (PubChem CID 90981218) has the molecular formula C23H20F3NO2 and a molecular weight of 399.41 g/mol. Its IUPAC name is [4-[1-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[1-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]methanol
PubChem CID90981218
Molecular FormulaC23H20F3NO2
Molecular Weight399.41 g/mol
Exact Mass399.14
IUPAC Name[4-[1-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]methanol
SMILESC=C(NOCc1ccc(-c2ccccc2)c(C(F)(F)F)c1)c1ccc(CO)cc1
InChIInChI=1S/C23H20F3NO2/c1-16(19-10-7-17(14-28)8-11-19)27-29-15-18-9-12-21(20-5-3-2-4-6-20)22(13-18)23(24,25)26/h2-13,27-28H,1,14-15H2
InChIKeyORWBQMALQNZLSP-UHFFFAOYSA-N
XLogP5.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.41
LogP ≤ 55.56
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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Related Compounds

1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 53737594
1-cyclopropylidene-1-(4-fluorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine
CID 53912762
[Methoxy(methyl)amino]-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol
CID 59729412
[4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]methanol
CID 90915028
[2-Benzyl-6-[(4-fluorophenyl)methyl]-3-(nitrosomethyl)phenyl]methanol
CID 91085130
[4-[1-[[4-Cyclohexyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]-2-ethylphenyl]methanol
CID 91227163
2-[3-[4-[1-[[3-(Trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]phenyl]acetic acid
CID 91485055
2-[3-[4-[1-[[4-(Trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]phenyl]acetic acid
CID 91537188
[3-[2-(Aminomethyl)-5-(trifluoromethyl)phenyl]phenyl]methanol
CID 135353908
[3-[2-(Aminomethyl)-4-(trifluoromethyl)phenyl]phenyl]methanol
CID 135353913
3-amino-2-[3-(trifluoromethyl)phenyl]-1H-inden-1-ol
CID 163740452
[3-[2-(Aminomethyl)-5-(trifluoromethyl)phenyl]phenyl]methanol;formic acid
CID 174978366

Frequently Asked Questions

What is the IUPAC name of [4-[1-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]methanol?
The IUPAC name of [4-[1-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]methanol (CID 90981218) is [4-[1-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]methanol.
What is the SMILES notation for [4-[1-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]methanol?
The canonical SMILES for [4-[1-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]methanol is C=C(NOCc1ccc(-c2ccccc2)c(C(F)(F)F)c1)c1ccc(CO)cc1.
What is the InChIKey of [4-[1-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]methanol?
The InChIKey is ORWBQMALQNZLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3NO2/c1-16(19-10-7-17(14-28)8-11-19)27-29-15-18-9-12-21(20-5-3-2-4-6-20)22(13-18)23(24,25)26/h2-13,27-28H,1,14-15H2.
What are the key properties of [4-[1-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]methanol?
[4-[1-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]methanol has a molecular weight of 399.41 g/mol, XLogP of 5.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]methanol is sourced from PubChem (CID 90981218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).