[4-[2-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenyl]methanol

C23H20F3NO2 — CID 87710316

IUPAC[4-[2-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenyl]methanol
SMILESOCc1ccc(CC=NOCc2ccc(-c3ccccc3)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H20F3NO2/c24-23(25,26)22-14-19(10-11-21(22)20-4-2-1-3-5-20)16-29-27-13-12-17-6-8-18(15-28)9-7-17/h1-11,13-14,28H,12,15-16H2
InChIKeyYXZHXFHRCYUNGQ-UHFFFAOYSA-N
MW399.41 g/mol
LogP5.61
Rot. Bonds7

About [4-[2-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenyl]methanol

[4-[2-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenyl]methanol (PubChem CID 87710316) has the molecular formula C23H20F3NO2 and a molecular weight of 399.41 g/mol. Its IUPAC name is [4-[2-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenyl]methanol
PubChem CID87710316
Molecular FormulaC23H20F3NO2
Molecular Weight399.41 g/mol
Exact Mass399.14
IUPAC Name[4-[2-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenyl]methanol
SMILESOCc1ccc(CC=NOCc2ccc(-c3ccccc3)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H20F3NO2/c24-23(25,26)22-14-19(10-11-21(22)20-4-2-1-3-5-20)16-29-27-13-12-17-6-8-18(15-28)9-7-17/h1-11,13-14,28H,12,15-16H2
InChIKeyYXZHXFHRCYUNGQ-UHFFFAOYSA-N
XLogP5.61
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.41
LogP ≤ 55.61
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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Related Compounds

Ethanone, 1-[3-ethyl-4-(hydroxymethyl)phenyl]-,O-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methyl]oxime, (1E)-
CID 123382840
Siponimod Impurity 27
CID 126723004
2,4,6-Triethyl-3-(hydroxymethyl)benzaldehyde oxime
CID 6891493
5-Hexyl-1,4-bis(hydroxymethyl)-2,3-di(4-fluorophenyl)-benzene
CID 21217003
1,4-Bis(hydroxymethyl)-2,3-di(4-fluorophenyl)-benzene
CID 21217012
1-(4-hydroxymethyl-phenyl)-ethanone O-(2-trifluoromethyl-biphenyl-4-ylmethyl)-oxime
CID 86595996
(E)-1-(3-Ethyl-4-(hydroxymethyl)phenyl)ethan-1-one O-(4-cyclohexyl-3-(trifluoromethyl)benzyl) oxime
CID 86595997
[2-propyl-4-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]phenyl]methanol
CID 87059819
[4-[2-[[4-Cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]-2-ethylphenyl]methanol
CID 87710760
[2-[(4-fluorophenyl)methyl]-5-[(Z)-trityloxyiminomethyl]phenyl]methanol
CID 87868203
[6-[(4-Fluorophenyl)methyl]-3-(hydroxyiminomethyl)-2-tritylphenyl]methanol
CID 87868204
4-(dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)-4-[(Z)-phenylmethoxyiminomethyl]phenyl]butan-1-ol
CID 87868257

Frequently Asked Questions

What is the IUPAC name of [4-[2-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenyl]methanol?
The IUPAC name of [4-[2-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenyl]methanol (CID 87710316) is [4-[2-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenyl]methanol.
What is the SMILES notation for [4-[2-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenyl]methanol?
The canonical SMILES for [4-[2-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenyl]methanol is OCc1ccc(CC=NOCc2ccc(-c3ccccc3)c(C(F)(F)F)c2)cc1.
What is the InChIKey of [4-[2-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenyl]methanol?
The InChIKey is YXZHXFHRCYUNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3NO2/c24-23(25,26)22-14-19(10-11-21(22)20-4-2-1-3-5-20)16-29-27-13-12-17-6-8-18(15-28)9-7-17/h1-11,13-14,28H,12,15-16H2.
What are the key properties of [4-[2-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenyl]methanol?
[4-[2-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenyl]methanol has a molecular weight of 399.41 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenyl]methanol is sourced from PubChem (CID 87710316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).