1-(4-ethylsulfanylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone

C17H17FO2S — CID 106847880

IUPAC1-(4-ethylsulfanylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
SMILESCCSc1ccc(C(=O)Cc2cccc(OC)c2F)cc1
InChIInChI=1S/C17H17FO2S/c1-3-21-14-9-7-12(8-10-14)15(19)11-13-5-4-6-16(20-2)17(13)18/h4-10H,3,11H2,1-2H3
InChIKeyQQUOPINLXRQAKK-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.37
Rot. Bonds6

About 1-(4-ethylsulfanylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone

1-(4-ethylsulfanylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone (PubChem CID 106847880) has the molecular formula C17H17FO2S and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
PubChem CID106847880
Molecular FormulaC17H17FO2S
Molecular Weight304.39 g/mol
Exact Mass304.09
IUPAC Name1-(4-ethylsulfanylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
SMILESCCSc1ccc(C(=O)Cc2cccc(OC)c2F)cc1
InChIInChI=1S/C17H17FO2S/c1-3-21-14-9-7-12(8-10-14)15(19)11-13-5-4-6-16(20-2)17(13)18/h4-10H,3,11H2,1-2H3
InChIKeyQQUOPINLXRQAKK-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-1-(4-methoxyphenyl)ethanone
CID 104793354
1-[4-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]phenyl]ethanone
CID 104794994
1-(4-ethylsulfanylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 106847918
1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-2-one
CID 104793475
2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-5-ylethanone
CID 102923229
2-(2-fluoro-3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanone
CID 105128433
1-(3-chloro-4-iodophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 103214368
2-(2-chloro-6-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106847868
2-(3,5-difluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106848111
1-(2-fluoro-3-methoxyphenyl)-3-methoxypropan-2-one
CID 104793398
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylphenyl)ethanone
CID 113453726
3-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-hydroxypentan-2-one
CID 103446967

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone (CID 106847880) is 1-(4-ethylsulfanylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone is CCSc1ccc(C(=O)Cc2cccc(OC)c2F)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
The InChIKey is QQUOPINLXRQAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2S/c1-3-21-14-9-7-12(8-10-14)15(19)11-13-5-4-6-16(20-2)17(13)18/h4-10H,3,11H2,1-2H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
1-(4-ethylsulfanylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone has a molecular weight of 304.39 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone is sourced from PubChem (CID 106847880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).