1-(2-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone

C15H13FO2S — CID 43218865

IUPAC1-(2-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone
SMILESCOc1ccc(SCC(=O)c2ccccc2F)cc1
InChIInChI=1S/C15H13FO2S/c1-18-11-6-8-12(9-7-11)19-10-15(17)13-4-2-3-5-14(13)16/h2-9H,10H2,1H3
InChIKeyWDUTXSICMLNZNP-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.81
Rot. Bonds5

About 1-(2-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone

1-(2-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone (PubChem CID 43218865) has the molecular formula C15H13FO2S and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone
PubChem CID43218865
Molecular FormulaC15H13FO2S
Molecular Weight276.33 g/mol
Exact Mass276.06
IUPAC Name1-(2-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone
SMILESCOc1ccc(SCC(=O)c2ccccc2F)cc1
InChIInChI=1S/C15H13FO2S/c1-18-11-6-8-12(9-7-11)19-10-15(17)13-4-2-3-5-14(13)16/h2-9H,10H2,1H3
InChIKeyWDUTXSICMLNZNP-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorophenyl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43218829
1-(3-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43226534
1-(2-fluoro-3-methoxyphenyl)-2-phenylsulfanylethanone
CID 82808492
2-chloro-N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide
CID 86981464
2-[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
CID 25036274
1-[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)sulfanylethanone
CID 162514734
3-(2,5-dimethoxyphenyl)-2-[2-(2-fluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 2559699
1-(2-fluoro-4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
CID 4524981
4-methoxy-N-(4-phenacylsulfanylphenyl)benzamide
CID 19629302
N-[4-[2-(4-methoxyphenyl)sulfanylacetyl]phenyl]benzamide
CID 8673492
1-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43218862
1-(2-fluorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 42092034

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone?
The IUPAC name of 1-(2-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone (CID 43218865) is 1-(2-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone?
The canonical SMILES for 1-(2-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone is COc1ccc(SCC(=O)c2ccccc2F)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone?
The InChIKey is WDUTXSICMLNZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2S/c1-18-11-6-8-12(9-7-11)19-10-15(17)13-4-2-3-5-14(13)16/h2-9H,10H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone?
1-(2-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone has a molecular weight of 276.33 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone is sourced from PubChem (CID 43218865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).