(2-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanol

C16H19NO2S — CID 115829191

IUPAC(2-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanol
SMILESCCCOc1cncc(C(O)c2ccccc2SC)c1
InChIInChI=1S/C16H19NO2S/c1-3-8-19-13-9-12(10-17-11-13)16(18)14-6-4-5-7-15(14)20-2/h4-7,9-11,16,18H,3,8H2,1-2H3
InChIKeyBUOABLSWJYPBEL-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.67
Rot. Bonds6

About (2-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanol

(2-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanol (PubChem CID 115829191) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is (2-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name(2-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanol
PubChem CID115829191
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name(2-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanol
SMILESCCCOc1cncc(C(O)c2ccccc2SC)c1
InChIInChI=1S/C16H19NO2S/c1-3-8-19-13-9-12(10-17-11-13)16(18)14-6-4-5-7-15(14)20-2/h4-7,9-11,16,18H,3,8H2,1-2H3
InChIKeyBUOABLSWJYPBEL-UHFFFAOYSA-N
XLogP3.67
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105330102
(2-chloro-3-fluorophenyl)-(5-propoxy-3-pyridinyl)methanol
CID 115829228
(2-fluoro-4-methylphenyl)-(5-propoxy-3-pyridinyl)methanol
CID 115829147
(2,5-dimethylfuran-3-yl)-(5-propoxy-3-pyridinyl)methanol
CID 115829129
1-(5-propoxy-3-pyridinyl)butane-1,2-diol
CID 103454750
2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanol
CID 115829169
(2-chloro-6-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanol
CID 104817389
(3-chloro-4-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanol
CID 103408210
2-ethyl-1-(5-propoxy-3-pyridinyl)butane-1,2-diol
CID 103449515
[2-phenyl-1-(5-propoxy-3-pyridinyl)ethyl]hydrazine
CID 105195381
(5-ethoxy-3-pyridinyl)-(2-fluoro-5-methylphenyl)methanol
CID 115828977
N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-propoxy-3-pyridinyl)methanamine
CID 105175626

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanol?
The IUPAC name of (2-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanol (CID 115829191) is (2-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanol.
What is the SMILES notation for (2-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanol?
The canonical SMILES for (2-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanol is CCCOc1cncc(C(O)c2ccccc2SC)c1.
What is the InChIKey of (2-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanol?
The InChIKey is BUOABLSWJYPBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-3-8-19-13-9-12(10-17-11-13)16(18)14-6-4-5-7-15(14)20-2/h4-7,9-11,16,18H,3,8H2,1-2H3.
What are the key properties of (2-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanol?
(2-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanol has a molecular weight of 289.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanol is sourced from PubChem (CID 115829191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).