[4-hydroxy-3,5-di(propan-2-yl)phenyl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

C19H20F3NO2 — CID 11847973

IUPAC[4-hydroxy-3,5-di(propan-2-yl)phenyl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCC(C)c1cc(C(=O)c2ccc(C(F)(F)F)nc2)cc(C(C)C)c1O
InChIInChI=1S/C19H20F3NO2/c1-10(2)14-7-13(8-15(11(3)4)18(14)25)17(24)12-5-6-16(23-9-12)19(20,21)22/h5-11,25H,1-4H3
InChIKeyYGQDUWOWJZOQSD-UHFFFAOYSA-N
MW351.37 g/mol
LogP5.28
Rot. Bonds4

About [4-hydroxy-3,5-di(propan-2-yl)phenyl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

[4-hydroxy-3,5-di(propan-2-yl)phenyl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 11847973) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is [4-hydroxy-3,5-di(propan-2-yl)phenyl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-hydroxy-3,5-di(propan-2-yl)phenyl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID11847973
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name[4-hydroxy-3,5-di(propan-2-yl)phenyl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCC(C)c1cc(C(=O)c2ccc(C(F)(F)F)nc2)cc(C(C)C)c1O
InChIInChI=1S/C19H20F3NO2/c1-10(2)14-7-13(8-15(11(3)4)18(14)25)17(24)12-5-6-16(23-9-12)19(20,21)22/h5-11,25H,1-4H3
InChIKeyYGQDUWOWJZOQSD-UHFFFAOYSA-N
XLogP5.28
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.37
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-3,5-di(propan-2-yl)phenyl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [4-hydroxy-3,5-di(propan-2-yl)phenyl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 11847973) is [4-hydroxy-3,5-di(propan-2-yl)phenyl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [4-hydroxy-3,5-di(propan-2-yl)phenyl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [4-hydroxy-3,5-di(propan-2-yl)phenyl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is CC(C)c1cc(C(=O)c2ccc(C(F)(F)F)nc2)cc(C(C)C)c1O.
What is the InChIKey of [4-hydroxy-3,5-di(propan-2-yl)phenyl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is YGQDUWOWJZOQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-10(2)14-7-13(8-15(11(3)4)18(14)25)17(24)12-5-6-16(23-9-12)19(20,21)22/h5-11,25H,1-4H3.
What are the key properties of [4-hydroxy-3,5-di(propan-2-yl)phenyl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
[4-hydroxy-3,5-di(propan-2-yl)phenyl]-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 351.37 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-3,5-di(propan-2-yl)phenyl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 11847973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).