4-[(4-hydroxyphenyl)sulfanylmethyl]-1-methylpyridin-2-one

C13H13NO2S — CID 47289223

IUPAC4-[(4-hydroxyphenyl)sulfanylmethyl]-1-methylpyridin-2-one
SMILESCn1ccc(CSc2ccc(O)cc2)cc1=O
InChIInChI=1S/C13H13NO2S/c1-14-7-6-10(8-13(14)16)9-17-12-4-2-11(15)3-5-12/h2-8,15H,9H2,1H3
InChIKeyCFNOAYKZAWIFAZ-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.38
Rot. Bonds3

About 4-[(4-hydroxyphenyl)sulfanylmethyl]-1-methylpyridin-2-one

4-[(4-hydroxyphenyl)sulfanylmethyl]-1-methylpyridin-2-one (PubChem CID 47289223) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)sulfanylmethyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)sulfanylmethyl]-1-methylpyridin-2-one
PubChem CID47289223
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name4-[(4-hydroxyphenyl)sulfanylmethyl]-1-methylpyridin-2-one
SMILESCn1ccc(CSc2ccc(O)cc2)cc1=O
InChIInChI=1S/C13H13NO2S/c1-14-7-6-10(8-13(14)16)9-17-12-4-2-11(15)3-5-12/h2-8,15H,9H2,1H3
InChIKeyCFNOAYKZAWIFAZ-UHFFFAOYSA-N
XLogP2.38
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)sulfanylmethyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[(4-hydroxyphenyl)sulfanylmethyl]-1-methylpyridin-2-one (CID 47289223) is 4-[(4-hydroxyphenyl)sulfanylmethyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[(4-hydroxyphenyl)sulfanylmethyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[(4-hydroxyphenyl)sulfanylmethyl]-1-methylpyridin-2-one is Cn1ccc(CSc2ccc(O)cc2)cc1=O.
What is the InChIKey of 4-[(4-hydroxyphenyl)sulfanylmethyl]-1-methylpyridin-2-one?
The InChIKey is CFNOAYKZAWIFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-14-7-6-10(8-13(14)16)9-17-12-4-2-11(15)3-5-12/h2-8,15H,9H2,1H3.
What are the key properties of 4-[(4-hydroxyphenyl)sulfanylmethyl]-1-methylpyridin-2-one?
4-[(4-hydroxyphenyl)sulfanylmethyl]-1-methylpyridin-2-one has a molecular weight of 247.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)sulfanylmethyl]-1-methylpyridin-2-one is sourced from PubChem (CID 47289223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).