[2-(2-methylsulfanylphenoxy)quinolin-4-yl]methanol

C17H15NO2S — CID 63648216

IUPAC[2-(2-methylsulfanylphenoxy)quinolin-4-yl]methanol
SMILESCSc1ccccc1Oc1cc(CO)c2ccccc2n1
InChIInChI=1S/C17H15NO2S/c1-21-16-9-5-4-8-15(16)20-17-10-12(11-19)13-6-2-3-7-14(13)18-17/h2-10,19H,11H2,1H3
InChIKeyUKVGHSRBEGMYTK-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.24
Rot. Bonds4

About [2-(2-methylsulfanylphenoxy)quinolin-4-yl]methanol

[2-(2-methylsulfanylphenoxy)quinolin-4-yl]methanol (PubChem CID 63648216) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is [2-(2-methylsulfanylphenoxy)quinolin-4-yl]methanol.

Molecular Properties

Compound Name[2-(2-methylsulfanylphenoxy)quinolin-4-yl]methanol
PubChem CID63648216
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name[2-(2-methylsulfanylphenoxy)quinolin-4-yl]methanol
SMILESCSc1ccccc1Oc1cc(CO)c2ccccc2n1
InChIInChI=1S/C17H15NO2S/c1-21-16-9-5-4-8-15(16)20-17-10-12(11-19)13-6-2-3-7-14(13)18-17/h2-10,19H,11H2,1H3
InChIKeyUKVGHSRBEGMYTK-UHFFFAOYSA-N
XLogP4.24
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylsulfanylphenoxy)quinolin-4-yl]methanol?
The IUPAC name of [2-(2-methylsulfanylphenoxy)quinolin-4-yl]methanol (CID 63648216) is [2-(2-methylsulfanylphenoxy)quinolin-4-yl]methanol.
What is the SMILES notation for [2-(2-methylsulfanylphenoxy)quinolin-4-yl]methanol?
The canonical SMILES for [2-(2-methylsulfanylphenoxy)quinolin-4-yl]methanol is CSc1ccccc1Oc1cc(CO)c2ccccc2n1.
What is the InChIKey of [2-(2-methylsulfanylphenoxy)quinolin-4-yl]methanol?
The InChIKey is UKVGHSRBEGMYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-21-16-9-5-4-8-15(16)20-17-10-12(11-19)13-6-2-3-7-14(13)18-17/h2-10,19H,11H2,1H3.
What are the key properties of [2-(2-methylsulfanylphenoxy)quinolin-4-yl]methanol?
[2-(2-methylsulfanylphenoxy)quinolin-4-yl]methanol has a molecular weight of 297.38 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylsulfanylphenoxy)quinolin-4-yl]methanol is sourced from PubChem (CID 63648216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).