2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol

C20H16ClF3N2O — CID 90109857

IUPAC2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol
SMILESOCCc1ccc(Cc2cc(C(F)(F)F)nc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C20H16ClF3N2O/c21-16-3-1-2-15(11-16)19-25-17(12-18(26-19)20(22,23)24)10-14-6-4-13(5-7-14)8-9-27/h1-7,11-12,27H,8-10H2
InChIKeyNCPPCVZMWDRHFG-UHFFFAOYSA-N
MW392.81 g/mol
LogP4.94
Rot. Bonds5

About 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol

2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol (PubChem CID 90109857) has the molecular formula C20H16ClF3N2O and a molecular weight of 392.81 g/mol. Its IUPAC name is 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol
PubChem CID90109857
Molecular FormulaC20H16ClF3N2O
Molecular Weight392.81 g/mol
Exact Mass392.09
IUPAC Name2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol
SMILESOCCc1ccc(Cc2cc(C(F)(F)F)nc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C20H16ClF3N2O/c21-16-3-1-2-15(11-16)19-25-17(12-18(26-19)20(22,23)24)10-14-6-4-13(5-7-14)8-9-27/h1-7,11-12,27H,8-10H2
InChIKeyNCPPCVZMWDRHFG-UHFFFAOYSA-N
XLogP4.94
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.81
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-{[4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
CID 74221301
(1R)-2-[[6-[3-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol
CID 44204625
2-(4-((2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl)methyl)phenyl)acetic acid
CID 74221425
2-(4-((2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl)methyl)phenyl)ethanol
CID 74221427
2-(4-((2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl)amino)phenyl)ethanol
CID 90110094
2-(4-((2-(3-Chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)ethanol
CID 90112835
2-(4-((2-(3-Chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl)methyl)phenyl)ethanol
CID 90338480
2-(4-((2-Cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl)methyl)phenyl)ethanol
CID 74220714
3-(4-((2-(3-Chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino)phenyl)-1,1,1-trifluoropropan-2-ol
CID 90109898
Methyl 2-(4-((2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl)methyl)phenyl)acetate
CID 90110925
2-(4-((2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl)amino)phenyl)-3,3,3-trifluoropropan-1-ol
CID 118037155
2-(4-((2-(3-Chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino)phenyl)ethanol
CID 90109884

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol?
The IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol (CID 90109857) is 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol?
The canonical SMILES for 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol is OCCc1ccc(Cc2cc(C(F)(F)F)nc(-c3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol?
The InChIKey is NCPPCVZMWDRHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N2O/c21-16-3-1-2-15(11-16)19-25-17(12-18(26-19)20(22,23)24)10-14-6-4-13(5-7-14)8-9-27/h1-7,11-12,27H,8-10H2.
What are the key properties of 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol?
2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol has a molecular weight of 392.81 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol is sourced from PubChem (CID 90109857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).