1-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone

C16H15FO2S — CID 43426355

IUPAC1-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
SMILESCOc1ccc(F)cc1C(=O)CSc1ccc(C)cc1
InChIInChI=1S/C16H15FO2S/c1-11-3-6-13(7-4-11)20-10-15(18)14-9-12(17)5-8-16(14)19-2/h3-9H,10H2,1-2H3
InChIKeySPUGHYGSPBLVFD-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.12
Rot. Bonds5

About 1-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone

1-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone (PubChem CID 43426355) has the molecular formula C16H15FO2S and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
PubChem CID43426355
Molecular FormulaC16H15FO2S
Molecular Weight290.36 g/mol
Exact Mass290.08
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
SMILESCOc1ccc(F)cc1C(=O)CSc1ccc(C)cc1
InChIInChI=1S/C16H15FO2S/c1-11-3-6-13(7-4-11)20-10-15(18)14-9-12(17)5-8-16(14)19-2/h3-9H,10H2,1-2H3
InChIKeySPUGHYGSPBLVFD-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43224824
1-(5-fluoro-2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone
CID 60971964
1-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylethanone
CID 10802537
1-(2,6-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 116810019
1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanone
CID 66072256
1-(2-fluoro-5-methylphenyl)-2-(4-fluorophenyl)sulfanylethanone
CID 66070340
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
2-butan-2-ylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43412504
1-(2-methoxy-4,6-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 106679998
1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-2-one
CID 104793475
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 7704457
1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-one
CID 43161544

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone (CID 43426355) is 1-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone is COc1ccc(F)cc1C(=O)CSc1ccc(C)cc1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone?
The InChIKey is SPUGHYGSPBLVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2S/c1-11-3-6-13(7-4-11)20-10-15(18)14-9-12(17)5-8-16(14)19-2/h3-9H,10H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone?
1-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone has a molecular weight of 290.36 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone is sourced from PubChem (CID 43426355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).