1-quinazolin-4-yl-1-[4-(trifluoromethyl)phenyl]ethanol

C17H13F3N2O — CID 53385739

IUPAC1-quinazolin-4-yl-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESCC(O)(c1ccc(C(F)(F)F)cc1)c1ncnc2ccccc12
InChIInChI=1S/C17H13F3N2O/c1-16(23,11-6-8-12(9-7-11)17(18,19)20)15-13-4-2-3-5-14(13)21-10-22-15/h2-10,23H,1H3
InChIKeyZLOVTTZFCPLOAK-UHFFFAOYSA-N
MW318.30 g/mol
LogP3.90
Rot. Bonds2

About 1-quinazolin-4-yl-1-[4-(trifluoromethyl)phenyl]ethanol

1-quinazolin-4-yl-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 53385739) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is 1-quinazolin-4-yl-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-quinazolin-4-yl-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID53385739
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name1-quinazolin-4-yl-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESCC(O)(c1ccc(C(F)(F)F)cc1)c1ncnc2ccccc12
InChIInChI=1S/C17H13F3N2O/c1-16(23,11-6-8-12(9-7-11)17(18,19)20)15-13-4-2-3-5-14(13)21-10-22-15/h2-10,23H,1H3
InChIKeyZLOVTTZFCPLOAK-UHFFFAOYSA-N
XLogP3.90
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Methoxyphenyl)-1-(quinazolin-4-yl)ethan-1-ol
CID 10826594
1-(4-Methylsulfanylphenyl)-1-quinazolin-4-ylethanol
CID 118736467
1-(6-Fluoroquinazolin-4-yl)-1-(4-methoxyphenyl)ethanol
CID 156021892
1-Phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]ethanol
CID 16289156
1-[4-(Dimethylamino)phenyl]-1-quinazolin-4-ylethanol
CID 53385735
1-[4-(Methylamino)phenyl]-1-quinazolin-4-ylethanol
CID 53385736
2,2,2-Trifluoro-1-(4-methoxyphenyl)-1-quinazolin-4-ylethanol
CID 53385790
1-[4-[3-[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]cyclobutan-1-ol
CID 118307557
1-[4-Phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]cyclopropan-1-ol
CID 118307604
2-[4-[3-[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]propan-2-ol
CID 118307657
Phenyl-[2-(trifluoromethyl)quinazolin-4-yl]methanol
CID 44449746
1-(4-Methoxyphenyl)-1-quinazolin-4-ylpropan-1-ol
CID 53385789

Frequently Asked Questions

What is the IUPAC name of 1-quinazolin-4-yl-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-quinazolin-4-yl-1-[4-(trifluoromethyl)phenyl]ethanol (CID 53385739) is 1-quinazolin-4-yl-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-quinazolin-4-yl-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-quinazolin-4-yl-1-[4-(trifluoromethyl)phenyl]ethanol is CC(O)(c1ccc(C(F)(F)F)cc1)c1ncnc2ccccc12.
What is the InChIKey of 1-quinazolin-4-yl-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is ZLOVTTZFCPLOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c1-16(23,11-6-8-12(9-7-11)17(18,19)20)15-13-4-2-3-5-14(13)21-10-22-15/h2-10,23H,1H3.
What are the key properties of 1-quinazolin-4-yl-1-[4-(trifluoromethyl)phenyl]ethanol?
1-quinazolin-4-yl-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 318.30 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinazolin-4-yl-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 53385739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).