(1R)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol

C15H17F3N2O — CID 162378159

IUPAC(1R)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol
SMILESCC(C)n1cc(C(F)(F)F)nc1-c1ccc([C@@H](C)O)cc1
InChIInChI=1S/C15H17F3N2O/c1-9(2)20-8-13(15(16,17)18)19-14(20)12-6-4-11(5-7-12)10(3)21/h4-10,21H,1-3H3/t10-/m1/s1
InChIKeyLYCTXDQKZHMGOI-SNVBAGLBSA-N
MW298.31 g/mol
LogP4.20
Rot. Bonds3

About (1R)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol

(1R)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol (PubChem CID 162378159) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is (1R)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol
PubChem CID162378159
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name(1R)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol
SMILESCC(C)n1cc(C(F)(F)F)nc1-c1ccc([C@@H](C)O)cc1
InChIInChI=1S/C15H17F3N2O/c1-9(2)20-8-13(15(16,17)18)19-14(20)12-6-4-11(5-7-12)10(3)21/h4-10,21H,1-3H3/t10-/m1/s1
InChIKeyLYCTXDQKZHMGOI-SNVBAGLBSA-N
XLogP4.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol?
The IUPAC name of (1R)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol (CID 162378159) is (1R)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol is CC(C)n1cc(C(F)(F)F)nc1-c1ccc([C@@H](C)O)cc1.
What is the InChIKey of (1R)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol?
The InChIKey is LYCTXDQKZHMGOI-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-9(2)20-8-13(15(16,17)18)19-14(20)12-6-4-11(5-7-12)10(3)21/h4-10,21H,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol?
(1R)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol has a molecular weight of 298.31 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol is sourced from PubChem (CID 162378159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).