4-methylsulfanyl-5-phenylmethoxy-1H-pyridin-2-one

C13H13NO2S — CID 166675925

IUPAC4-methylsulfanyl-5-phenylmethoxy-1H-pyridin-2-one
SMILESCSc1cc(=O)[nH]cc1OCc1ccccc1
InChIInChI=1S/C13H13NO2S/c1-17-12-7-13(15)14-8-11(12)16-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,14,15)
InChIKeyKUOCEJAQOBLRLY-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.68
Rot. Bonds4

About 4-methylsulfanyl-5-phenylmethoxy-1H-pyridin-2-one

4-methylsulfanyl-5-phenylmethoxy-1H-pyridin-2-one (PubChem CID 166675925) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-methylsulfanyl-5-phenylmethoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methylsulfanyl-5-phenylmethoxy-1H-pyridin-2-one
PubChem CID166675925
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name4-methylsulfanyl-5-phenylmethoxy-1H-pyridin-2-one
SMILESCSc1cc(=O)[nH]cc1OCc1ccccc1
InChIInChI=1S/C13H13NO2S/c1-17-12-7-13(15)14-8-11(12)16-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,14,15)
InChIKeyKUOCEJAQOBLRLY-UHFFFAOYSA-N
XLogP2.68
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-bis(phenylmethoxy)-1H-pyridin-4-one
CID 54191068
2-(difluoromethyl)-5-phenylmethoxy-1H-pyridin-4-one
CID 67282165
5-(3-fluoro-4-phenylmethoxyphenyl)-1H-pyridin-2-one
CID 122200240
5-hydroxy-2-methyl-1H-pyridin-4-one;2-methyl-5-phenylmethoxy-1H-pyridin-4-one;hydrochloride
CID 161262115
5-chloro-3-phenylmethoxy-1H-pyridin-2-one
CID 70036977
(4-methylsulfanyl-3-phenylmethoxyphenyl)boronic acid
CID 166604222
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
3-methyl-2-methylsulfanyl-5-phenylmethoxypyrimidin-4-one
CID 165352781
4-oxo-N-phenyl-5-phenylmethoxy-1H-pyridine-2-carboxamide
CID 42442472
N-(4-fluorophenyl)-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide
CID 42442339
2-tert-butyl-4-methylsulfanyl-1-phenylmethoxybenzene
CID 126677080
1,2-difluoro-3-methylsulfanyl-4-phenylmethoxybenzene
CID 171368097

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-5-phenylmethoxy-1H-pyridin-2-one?
The IUPAC name of 4-methylsulfanyl-5-phenylmethoxy-1H-pyridin-2-one (CID 166675925) is 4-methylsulfanyl-5-phenylmethoxy-1H-pyridin-2-one.
What is the SMILES notation for 4-methylsulfanyl-5-phenylmethoxy-1H-pyridin-2-one?
The canonical SMILES for 4-methylsulfanyl-5-phenylmethoxy-1H-pyridin-2-one is CSc1cc(=O)[nH]cc1OCc1ccccc1.
What is the InChIKey of 4-methylsulfanyl-5-phenylmethoxy-1H-pyridin-2-one?
The InChIKey is KUOCEJAQOBLRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-17-12-7-13(15)14-8-11(12)16-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,14,15).
What are the key properties of 4-methylsulfanyl-5-phenylmethoxy-1H-pyridin-2-one?
4-methylsulfanyl-5-phenylmethoxy-1H-pyridin-2-one has a molecular weight of 247.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-5-phenylmethoxy-1H-pyridin-2-one is sourced from PubChem (CID 166675925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).