[2-(2,3-difluorophenoxy)quinolin-3-yl]methanol

C16H11F2NO2 — CID 63036604

IUPAC[2-(2,3-difluorophenoxy)quinolin-3-yl]methanol
SMILESOCc1cc2ccccc2nc1Oc1cccc(F)c1F
InChIInChI=1S/C16H11F2NO2/c17-12-5-3-7-14(15(12)18)21-16-11(9-20)8-10-4-1-2-6-13(10)19-16/h1-8,20H,9H2
InChIKeyXNHNCEAEFZMVAP-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.80
Rot. Bonds3

About [2-(2,3-difluorophenoxy)quinolin-3-yl]methanol

[2-(2,3-difluorophenoxy)quinolin-3-yl]methanol (PubChem CID 63036604) has the molecular formula C16H11F2NO2 and a molecular weight of 287.27 g/mol. Its IUPAC name is [2-(2,3-difluorophenoxy)quinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-(2,3-difluorophenoxy)quinolin-3-yl]methanol
PubChem CID63036604
Molecular FormulaC16H11F2NO2
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name[2-(2,3-difluorophenoxy)quinolin-3-yl]methanol
SMILESOCc1cc2ccccc2nc1Oc1cccc(F)c1F
InChIInChI=1S/C16H11F2NO2/c17-12-5-3-7-14(15(12)18)21-16-11(9-20)8-10-4-1-2-6-13(10)19-16/h1-8,20H,9H2
InChIKeyXNHNCEAEFZMVAP-UHFFFAOYSA-N
XLogP3.80
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-difluorophenoxy)quinolin-3-yl]methanol?
The IUPAC name of [2-(2,3-difluorophenoxy)quinolin-3-yl]methanol (CID 63036604) is [2-(2,3-difluorophenoxy)quinolin-3-yl]methanol.
What is the SMILES notation for [2-(2,3-difluorophenoxy)quinolin-3-yl]methanol?
The canonical SMILES for [2-(2,3-difluorophenoxy)quinolin-3-yl]methanol is OCc1cc2ccccc2nc1Oc1cccc(F)c1F.
What is the InChIKey of [2-(2,3-difluorophenoxy)quinolin-3-yl]methanol?
The InChIKey is XNHNCEAEFZMVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO2/c17-12-5-3-7-14(15(12)18)21-16-11(9-20)8-10-4-1-2-6-13(10)19-16/h1-8,20H,9H2.
What are the key properties of [2-(2,3-difluorophenoxy)quinolin-3-yl]methanol?
[2-(2,3-difluorophenoxy)quinolin-3-yl]methanol has a molecular weight of 287.27 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-difluorophenoxy)quinolin-3-yl]methanol is sourced from PubChem (CID 63036604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).