[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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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).