4-ethylsulfanyl-6-[(4-methoxyphenyl)methoxy]pyridin-3-ol

C15H17NO3S — CID 157454667

IUPAC4-ethylsulfanyl-6-[(4-methoxyphenyl)methoxy]pyridin-3-ol
SMILESCCSc1cc(OCc2ccc(OC)cc2)ncc1O
InChIInChI=1S/C15H17NO3S/c1-3-20-14-8-15(16-9-13(14)17)19-10-11-4-6-12(18-2)7-5-11/h4-9,17H,3,10H2,1-2H3
InChIKeyOEQWBGIWTUKAKF-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.49
Rot. Bonds6

About 4-ethylsulfanyl-6-[(4-methoxyphenyl)methoxy]pyridin-3-ol

4-ethylsulfanyl-6-[(4-methoxyphenyl)methoxy]pyridin-3-ol (PubChem CID 157454667) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 4-ethylsulfanyl-6-[(4-methoxyphenyl)methoxy]pyridin-3-ol.

Molecular Properties

Compound Name4-ethylsulfanyl-6-[(4-methoxyphenyl)methoxy]pyridin-3-ol
PubChem CID157454667
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name4-ethylsulfanyl-6-[(4-methoxyphenyl)methoxy]pyridin-3-ol
SMILESCCSc1cc(OCc2ccc(OC)cc2)ncc1O
InChIInChI=1S/C15H17NO3S/c1-3-20-14-8-15(16-9-13(14)17)19-10-11-4-6-12(18-2)7-5-11/h4-9,17H,3,10H2,1-2H3
InChIKeyOEQWBGIWTUKAKF-UHFFFAOYSA-N
XLogP3.49
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-6-[(4-methoxyphenyl)methoxy]pyridin-3-ol?
The IUPAC name of 4-ethylsulfanyl-6-[(4-methoxyphenyl)methoxy]pyridin-3-ol (CID 157454667) is 4-ethylsulfanyl-6-[(4-methoxyphenyl)methoxy]pyridin-3-ol.
What is the SMILES notation for 4-ethylsulfanyl-6-[(4-methoxyphenyl)methoxy]pyridin-3-ol?
The canonical SMILES for 4-ethylsulfanyl-6-[(4-methoxyphenyl)methoxy]pyridin-3-ol is CCSc1cc(OCc2ccc(OC)cc2)ncc1O.
What is the InChIKey of 4-ethylsulfanyl-6-[(4-methoxyphenyl)methoxy]pyridin-3-ol?
The InChIKey is OEQWBGIWTUKAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-3-20-14-8-15(16-9-13(14)17)19-10-11-4-6-12(18-2)7-5-11/h4-9,17H,3,10H2,1-2H3.
What are the key properties of 4-ethylsulfanyl-6-[(4-methoxyphenyl)methoxy]pyridin-3-ol?
4-ethylsulfanyl-6-[(4-methoxyphenyl)methoxy]pyridin-3-ol has a molecular weight of 291.37 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-6-[(4-methoxyphenyl)methoxy]pyridin-3-ol is sourced from PubChem (CID 157454667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).