[2-(4-methylsulfanylphenoxy)-4-pyridinyl]methanol

C13H13NO2S — CID 55245584

IUPAC[2-(4-methylsulfanylphenoxy)-4-pyridinyl]methanol
SMILESCSc1ccc(Oc2cc(CO)ccn2)cc1
InChIInChI=1S/C13H13NO2S/c1-17-12-4-2-11(3-5-12)16-13-8-10(9-15)6-7-14-13/h2-8,15H,9H2,1H3
InChIKeyGXEPTZVERTWPQW-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.09
Rot. Bonds4

About [2-(4-methylsulfanylphenoxy)-4-pyridinyl]methanol

[2-(4-methylsulfanylphenoxy)-4-pyridinyl]methanol (PubChem CID 55245584) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is [2-(4-methylsulfanylphenoxy)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(4-methylsulfanylphenoxy)-4-pyridinyl]methanol
PubChem CID55245584
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name[2-(4-methylsulfanylphenoxy)-4-pyridinyl]methanol
SMILESCSc1ccc(Oc2cc(CO)ccn2)cc1
InChIInChI=1S/C13H13NO2S/c1-17-12-4-2-11(3-5-12)16-13-8-10(9-15)6-7-14-13/h2-8,15H,9H2,1H3
InChIKeyGXEPTZVERTWPQW-UHFFFAOYSA-N
XLogP3.09
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-fluorophenoxy)-4-pyridinyl]methanol
CID 61257536
2-methyl-N-[[2-(4-methylsulfanylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 63647549
2-(4-methylsulfanylphenoxy)pyridin-4-amine
CID 63649308
[2-(4-chloro-3-ethylphenoxy)-4-pyridinyl]methanol
CID 61257143
2-chloro-4-(4-methylsulfanylphenoxy)pyrimidine
CID 60726000
[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methanol
CID 61257367
(2-propoxy-4-pyridinyl)methanol
CID 61256143
[2-(2,2-difluoroethoxy)-4-pyridinyl]methanol
CID 82007049
5-amino-2-(4-methylsulfanylphenoxy)pyridine-4-carboxamide
CID 114090771
4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
CID 61269154
[2-(2-bromo-4-fluorophenoxy)-4-pyridinyl]methanol
CID 61255659
2-[4-[(4-methyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107709611

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylsulfanylphenoxy)-4-pyridinyl]methanol?
The IUPAC name of [2-(4-methylsulfanylphenoxy)-4-pyridinyl]methanol (CID 55245584) is [2-(4-methylsulfanylphenoxy)-4-pyridinyl]methanol.
What is the SMILES notation for [2-(4-methylsulfanylphenoxy)-4-pyridinyl]methanol?
The canonical SMILES for [2-(4-methylsulfanylphenoxy)-4-pyridinyl]methanol is CSc1ccc(Oc2cc(CO)ccn2)cc1.
What is the InChIKey of [2-(4-methylsulfanylphenoxy)-4-pyridinyl]methanol?
The InChIKey is GXEPTZVERTWPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-17-12-4-2-11(3-5-12)16-13-8-10(9-15)6-7-14-13/h2-8,15H,9H2,1H3.
What are the key properties of [2-(4-methylsulfanylphenoxy)-4-pyridinyl]methanol?
[2-(4-methylsulfanylphenoxy)-4-pyridinyl]methanol has a molecular weight of 247.32 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylsulfanylphenoxy)-4-pyridinyl]methanol is sourced from PubChem (CID 55245584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).