1-(3-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone

C15H13FO2S — CID 43226534

IUPAC1-(3-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone
SMILESCOc1ccc(SCC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C15H13FO2S/c1-18-13-5-7-14(8-6-13)19-10-15(17)11-3-2-4-12(16)9-11/h2-9H,10H2,1H3
InChIKeyNPGUIHMPIKYWMO-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.81
Rot. Bonds5

About 1-(3-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone

1-(3-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone (PubChem CID 43226534) has the molecular formula C15H13FO2S and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone
PubChem CID43226534
Molecular FormulaC15H13FO2S
Molecular Weight276.33 g/mol
Exact Mass276.06
IUPAC Name1-(3-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone
SMILESCOc1ccc(SCC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C15H13FO2S/c1-18-13-5-7-14(8-6-13)19-10-15(17)11-3-2-4-12(16)9-11/h2-9H,10H2,1H3
InChIKeyNPGUIHMPIKYWMO-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-(3-fluorophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 43226526
2-(3,4-dimethoxyphenyl)sulfanyl-1-(3-fluorophenyl)ethanone
CID 91880258
1-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43218862
1-(3-fluorophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 8676190
2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanone
CID 43802304
1-(2-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43218865
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(3-fluorophenyl)ethanone
CID 8676248
4-fluoro-N-[3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19299599
1-(3-fluorophenyl)-2-(2-fluorophenyl)sulfanylethanone
CID 43226528
2-(3-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanone
CID 55101851
4-methoxy-N-(4-phenacylsulfanylphenyl)benzamide
CID 19629302
N-[4-[2-(4-methoxyphenyl)sulfanylacetyl]phenyl]benzamide
CID 8673492

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone (CID 43226534) is 1-(3-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone is COc1ccc(SCC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone?
The InChIKey is NPGUIHMPIKYWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2S/c1-18-13-5-7-14(8-6-13)19-10-15(17)11-3-2-4-12(16)9-11/h2-9H,10H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone?
1-(3-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-(3-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone is sourced from PubChem (CID 43226534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).