1-(3-methoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol

C15H17NO3S — CID 43842271

IUPAC1-(3-methoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
SMILESCOc1cccc(OCC(O)CSc2ccccn2)c1
InChIInChI=1S/C15H17NO3S/c1-18-13-5-4-6-14(9-13)19-10-12(17)11-20-15-7-2-3-8-16-15/h2-9,12,17H,10-11H2,1H3
InChIKeySTKOIVFGYKCROC-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.62
Rot. Bonds7

About 1-(3-methoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol

1-(3-methoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol (PubChem CID 43842271) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-(3-methoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(3-methoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
PubChem CID43842271
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name1-(3-methoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
SMILESCOc1cccc(OCC(O)CSc2ccccn2)c1
InChIInChI=1S/C15H17NO3S/c1-18-13-5-4-6-14(9-13)19-10-12(17)11-20-15-7-2-3-8-16-15/h2-9,12,17H,10-11H2,1H3
InChIKeySTKOIVFGYKCROC-UHFFFAOYSA-N
XLogP2.62
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-dimethoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 43842276
(2S)-1-(2,6-dimethoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 42108825
(2S)-1-(2-tert-butyl-4-methoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 42108841
(2R)-1-(4-fluorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 42108813
(2S)-1-(2,6-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 42108845
(2R)-1-(2,6-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 42108844
1-[4-[(2R)-2-hydroxy-3-pyridin-2-ylsulfanylpropoxy]phenyl]ethanone
CID 42108830
1-(2,5-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 43859408
1-(3-methoxyphenoxy)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
CID 127243853
1-pyridin-2-ylsulfanyl-3-(2,3,5-trimethylphenoxy)propan-2-ol
CID 43842282
1-(2,3-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol;hydrochloride
CID 45283796
1-iodo-3-(3-methoxyphenoxy)propan-2-ol
CID 86028408

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol?
The IUPAC name of 1-(3-methoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol (CID 43842271) is 1-(3-methoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(3-methoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol?
The canonical SMILES for 1-(3-methoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol is COc1cccc(OCC(O)CSc2ccccn2)c1.
What is the InChIKey of 1-(3-methoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol?
The InChIKey is STKOIVFGYKCROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-18-13-5-4-6-14(9-13)19-10-12(17)11-20-15-7-2-3-8-16-15/h2-9,12,17H,10-11H2,1H3.
What are the key properties of 1-(3-methoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol?
1-(3-methoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol has a molecular weight of 291.37 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol is sourced from PubChem (CID 43842271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).