1-(2-methoxy-4-methylphenyl)-2-pyridin-2-ylsulfanylethanone

C15H15NO2S — CID 43802368

IUPAC1-(2-methoxy-4-methylphenyl)-2-pyridin-2-ylsulfanylethanone
SMILESCOc1cc(C)ccc1C(=O)CSc1ccccn1
InChIInChI=1S/C15H15NO2S/c1-11-6-7-12(14(9-11)18-2)13(17)10-19-15-5-3-4-8-16-15/h3-9H,10H2,1-2H3
InChIKeyWSHAYCRBGQWKGC-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.37
Rot. Bonds5

About 1-(2-methoxy-4-methylphenyl)-2-pyridin-2-ylsulfanylethanone

1-(2-methoxy-4-methylphenyl)-2-pyridin-2-ylsulfanylethanone (PubChem CID 43802368) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-(2-methoxy-4-methylphenyl)-2-pyridin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(2-methoxy-4-methylphenyl)-2-pyridin-2-ylsulfanylethanone
PubChem CID43802368
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name1-(2-methoxy-4-methylphenyl)-2-pyridin-2-ylsulfanylethanone
SMILESCOc1cc(C)ccc1C(=O)CSc1ccccn1
InChIInChI=1S/C15H15NO2S/c1-11-6-7-12(14(9-11)18-2)13(17)10-19-15-5-3-4-8-16-15/h3-9H,10H2,1-2H3
InChIKeyWSHAYCRBGQWKGC-UHFFFAOYSA-N
XLogP3.37
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-4-methylphenyl)ethanone
CID 43232681
1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfanylethanone
CID 43801932
1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone
CID 60778727
1-(2,5-dichlorothiophen-3-yl)-2-pyridin-2-ylsulfanylethanone
CID 2805500
2-(2-ethylimidazol-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 61405021
2-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]sulfanyl-N,N-dimethylacetamide
CID 114234153
dimethyl 5-[2,5-dimethyl-3-(2-pyridin-2-ylsulfanylacetyl)pyrrol-1-yl]benzene-1,3-dicarboxylate
CID 18291646
1-(2-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 106790241
ethyl 2-pyridin-2-ylsulfanylacetate
CID 6464675
2-(2-iodophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
CID 62032361
1-(2,4-dimethylphenyl)-2-pyrimidin-4-ylsulfanylethanone
CID 55225547
1-(2,4-dimethoxyphenyl)-2-quinolin-2-ylsulfanylethanone
CID 7755035

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methylphenyl)-2-pyridin-2-ylsulfanylethanone?
The IUPAC name of 1-(2-methoxy-4-methylphenyl)-2-pyridin-2-ylsulfanylethanone (CID 43802368) is 1-(2-methoxy-4-methylphenyl)-2-pyridin-2-ylsulfanylethanone.
What is the SMILES notation for 1-(2-methoxy-4-methylphenyl)-2-pyridin-2-ylsulfanylethanone?
The canonical SMILES for 1-(2-methoxy-4-methylphenyl)-2-pyridin-2-ylsulfanylethanone is COc1cc(C)ccc1C(=O)CSc1ccccn1.
What is the InChIKey of 1-(2-methoxy-4-methylphenyl)-2-pyridin-2-ylsulfanylethanone?
The InChIKey is WSHAYCRBGQWKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-11-6-7-12(14(9-11)18-2)13(17)10-19-15-5-3-4-8-16-15/h3-9H,10H2,1-2H3.
What are the key properties of 1-(2-methoxy-4-methylphenyl)-2-pyridin-2-ylsulfanylethanone?
1-(2-methoxy-4-methylphenyl)-2-pyridin-2-ylsulfanylethanone has a molecular weight of 273.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-methylphenyl)-2-pyridin-2-ylsulfanylethanone is sourced from PubChem (CID 43802368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).