4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol

C15H12F3NO2 — CID 23157430

IUPAC4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2c(Oc3ccc(C(F)(F)F)cn3)cccc21
InChIInChI=1S/C15H12F3NO2/c16-15(17,18)9-4-7-14(19-8-9)21-13-3-1-2-10-11(13)5-6-12(10)20/h1-4,7-8,12,20H,5-6H2
InChIKeySOLIUXLQMQGLHC-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.87
Rot. Bonds2

About 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol

4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol (PubChem CID 23157430) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol
PubChem CID23157430
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2c(Oc3ccc(C(F)(F)F)cn3)cccc21
InChIInChI=1S/C15H12F3NO2/c16-15(17,18)9-4-7-14(19-8-9)21-13-3-1-2-10-11(13)5-6-12(10)20/h1-4,7-8,12,20H,5-6H2
InChIKeySOLIUXLQMQGLHC-UHFFFAOYSA-N
XLogP3.87
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol (CID 23157430) is 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol is OC1CCc2c(Oc3ccc(C(F)(F)F)cn3)cccc21.
What is the InChIKey of 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is SOLIUXLQMQGLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c16-15(17,18)9-4-7-14(19-8-9)21-13-3-1-2-10-11(13)5-6-12(10)20/h1-4,7-8,12,20H,5-6H2.
What are the key properties of 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol?
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 295.26 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 23157430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).