2-(2,4-dimethylphenyl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone

C17H17FO2S — CID 43220191

IUPAC2-(2,4-dimethylphenyl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CSc2ccc(C)cc2C)cc1F
InChIInChI=1S/C17H17FO2S/c1-11-4-7-17(12(2)8-11)21-10-15(19)13-5-6-16(20-3)14(18)9-13/h4-9H,10H2,1-3H3
InChIKeyQOMMBPYGCDKAQU-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.43
Rot. Bonds5

About 2-(2,4-dimethylphenyl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone

2-(2,4-dimethylphenyl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone (PubChem CID 43220191) has the molecular formula C17H17FO2S and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone
PubChem CID43220191
Molecular FormulaC17H17FO2S
Molecular Weight304.39 g/mol
Exact Mass304.09
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CSc2ccc(C)cc2C)cc1F
InChIInChI=1S/C17H17FO2S/c1-11-4-7-17(12(2)8-11)21-10-15(19)13-5-6-16(20-3)14(18)9-13/h4-9H,10H2,1-3H3
InChIKeyQOMMBPYGCDKAQU-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 115736498
2-(4-chlorophenyl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43220181
1-(3-fluoro-4-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanone
CID 43220185
1-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 43220189
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 7545952
2-butan-2-ylsulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43220186
(3-fluoro-4-methoxyphenyl)-(2-methoxy-4-methylphenyl)methanone
CID 106790442
2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135929202
1-(3-fluoro-4-methoxyphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone
CID 18099148
4-[2-(2,4-dimethylphenyl)sulfanylacetyl]benzonitrile
CID 43225040
1-(2,4-difluorophenyl)-2-(2,4-dimethylphenyl)sulfanylethanone
CID 43220232
1-(3-fluoro-4-methoxyphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
CID 106923949

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone (CID 43220191) is 2-(2,4-dimethylphenyl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone is COc1ccc(C(=O)CSc2ccc(C)cc2C)cc1F.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone?
The InChIKey is QOMMBPYGCDKAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2S/c1-11-4-7-17(12(2)8-11)21-10-15(19)13-5-6-16(20-3)14(18)9-13/h4-9H,10H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone?
2-(2,4-dimethylphenyl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone has a molecular weight of 304.39 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 43220191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).