(1S)-5-[7-(trifluoromethyl)quinolin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol

C19H14F3NO2 — CID 71097597

IUPAC(1S)-5-[7-(trifluoromethyl)quinolin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1CCc2cc(Oc3ccnc4cc(C(F)(F)F)ccc34)ccc21
InChIInChI=1S/C19H14F3NO2/c20-19(21,22)12-2-4-15-16(10-12)23-8-7-18(15)25-13-3-5-14-11(9-13)1-6-17(14)24/h2-5,7-10,17,24H,1,6H2/t17-/m0/s1
InChIKeyGBKDIWAMVDABGX-KRWDZBQOSA-N
MW345.32 g/mol
LogP5.03
Rot. Bonds2

About (1S)-5-[7-(trifluoromethyl)quinolin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol

(1S)-5-[7-(trifluoromethyl)quinolin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol (PubChem CID 71097597) has the molecular formula C19H14F3NO2 and a molecular weight of 345.32 g/mol. Its IUPAC name is (1S)-5-[7-(trifluoromethyl)quinolin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S)-5-[7-(trifluoromethyl)quinolin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol
PubChem CID71097597
Molecular FormulaC19H14F3NO2
Molecular Weight345.32 g/mol
Exact Mass345.10
IUPAC Name(1S)-5-[7-(trifluoromethyl)quinolin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1CCc2cc(Oc3ccnc4cc(C(F)(F)F)ccc34)ccc21
InChIInChI=1S/C19H14F3NO2/c20-19(21,22)12-2-4-15-16(10-12)23-8-7-18(15)25-13-3-5-14-11(9-13)1-6-17(14)24/h2-5,7-10,17,24H,1,6H2/t17-/m0/s1
InChIKeyGBKDIWAMVDABGX-KRWDZBQOSA-N
XLogP5.03
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.32
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-5-[7-(trifluoromethyl)quinolin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S)-5-[7-(trifluoromethyl)quinolin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol (CID 71097597) is (1S)-5-[7-(trifluoromethyl)quinolin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S)-5-[7-(trifluoromethyl)quinolin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S)-5-[7-(trifluoromethyl)quinolin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol is O[C@H]1CCc2cc(Oc3ccnc4cc(C(F)(F)F)ccc34)ccc21.
What is the InChIKey of (1S)-5-[7-(trifluoromethyl)quinolin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol?
The InChIKey is GBKDIWAMVDABGX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H14F3NO2/c20-19(21,22)12-2-4-15-16(10-12)23-8-7-18(15)25-13-3-5-14-11(9-13)1-6-17(14)24/h2-5,7-10,17,24H,1,6H2/t17-/m0/s1.
What are the key properties of (1S)-5-[7-(trifluoromethyl)quinolin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol?
(1S)-5-[7-(trifluoromethyl)quinolin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol has a molecular weight of 345.32 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-[7-(trifluoromethyl)quinolin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 71097597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).