1-phenyl-1-[4-phenyl-3-(trifluoromethyl)-4H-quinolin-3-yl]ethanol

C24H20F3NO — CID 66913448

IUPAC1-phenyl-1-[4-phenyl-3-(trifluoromethyl)-4H-quinolin-3-yl]ethanol
SMILESCC(O)(c1ccccc1)C1(C(F)(F)F)C=Nc2ccccc2C1c1ccccc1
InChIInChI=1S/C24H20F3NO/c1-22(29,18-12-6-3-7-13-18)23(24(25,26)27)16-28-20-15-9-8-14-19(20)21(23)17-10-4-2-5-11-17/h2-16,21,29H,1H3
InChIKeyOURDCOTZBQXZHL-UHFFFAOYSA-N
MW395.42 g/mol
LogP5.99
Rot. Bonds3

About 1-phenyl-1-[4-phenyl-3-(trifluoromethyl)-4H-quinolin-3-yl]ethanol

1-phenyl-1-[4-phenyl-3-(trifluoromethyl)-4H-quinolin-3-yl]ethanol (PubChem CID 66913448) has the molecular formula C24H20F3NO and a molecular weight of 395.42 g/mol. Its IUPAC name is 1-phenyl-1-[4-phenyl-3-(trifluoromethyl)-4H-quinolin-3-yl]ethanol.

Molecular Properties

Compound Name1-phenyl-1-[4-phenyl-3-(trifluoromethyl)-4H-quinolin-3-yl]ethanol
PubChem CID66913448
Molecular FormulaC24H20F3NO
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name1-phenyl-1-[4-phenyl-3-(trifluoromethyl)-4H-quinolin-3-yl]ethanol
SMILESCC(O)(c1ccccc1)C1(C(F)(F)F)C=Nc2ccccc2C1c1ccccc1
InChIInChI=1S/C24H20F3NO/c1-22(29,18-12-6-3-7-13-18)23(24(25,26)27)16-28-20-15-9-8-14-19(20)21(23)17-10-4-2-5-11-17/h2-16,21,29H,1H3
InChIKeyOURDCOTZBQXZHL-UHFFFAOYSA-N
XLogP5.99
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.42
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-[4-phenyl-3-(trifluoromethyl)-4H-quinolin-3-yl]ethanol?
The IUPAC name of 1-phenyl-1-[4-phenyl-3-(trifluoromethyl)-4H-quinolin-3-yl]ethanol (CID 66913448) is 1-phenyl-1-[4-phenyl-3-(trifluoromethyl)-4H-quinolin-3-yl]ethanol.
What is the SMILES notation for 1-phenyl-1-[4-phenyl-3-(trifluoromethyl)-4H-quinolin-3-yl]ethanol?
The canonical SMILES for 1-phenyl-1-[4-phenyl-3-(trifluoromethyl)-4H-quinolin-3-yl]ethanol is CC(O)(c1ccccc1)C1(C(F)(F)F)C=Nc2ccccc2C1c1ccccc1.
What is the InChIKey of 1-phenyl-1-[4-phenyl-3-(trifluoromethyl)-4H-quinolin-3-yl]ethanol?
The InChIKey is OURDCOTZBQXZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3NO/c1-22(29,18-12-6-3-7-13-18)23(24(25,26)27)16-28-20-15-9-8-14-19(20)21(23)17-10-4-2-5-11-17/h2-16,21,29H,1H3.
What are the key properties of 1-phenyl-1-[4-phenyl-3-(trifluoromethyl)-4H-quinolin-3-yl]ethanol?
1-phenyl-1-[4-phenyl-3-(trifluoromethyl)-4H-quinolin-3-yl]ethanol has a molecular weight of 395.42 g/mol, XLogP of 5.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-[4-phenyl-3-(trifluoromethyl)-4H-quinolin-3-yl]ethanol is sourced from PubChem (CID 66913448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).