2-(3,4-dimethoxyphenyl)sulfanyl-1-(3-fluorophenyl)ethanone

C16H15FO3S — CID 91880258

IUPAC2-(3,4-dimethoxyphenyl)sulfanyl-1-(3-fluorophenyl)ethanone
SMILESCOc1ccc(SCC(=O)c2cccc(F)c2)cc1OC
InChIInChI=1S/C16H15FO3S/c1-19-15-7-6-13(9-16(15)20-2)21-10-14(18)11-4-3-5-12(17)8-11/h3-9H,10H2,1-2H3
InChIKeyWNWVQXOQVTXIDV-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.82
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)sulfanyl-1-(3-fluorophenyl)ethanone

2-(3,4-dimethoxyphenyl)sulfanyl-1-(3-fluorophenyl)ethanone (PubChem CID 91880258) has the molecular formula C16H15FO3S and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)sulfanyl-1-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)sulfanyl-1-(3-fluorophenyl)ethanone
PubChem CID91880258
Molecular FormulaC16H15FO3S
Molecular Weight306.36 g/mol
Exact Mass306.07
IUPAC Name2-(3,4-dimethoxyphenyl)sulfanyl-1-(3-fluorophenyl)ethanone
SMILESCOc1ccc(SCC(=O)c2cccc(F)c2)cc1OC
InChIInChI=1S/C16H15FO3S/c1-19-15-7-6-13(9-16(15)20-2)21-10-14(18)11-4-3-5-12(17)8-11/h3-9H,10H2,1-2H3
InChIKeyWNWVQXOQVTXIDV-UHFFFAOYSA-N
XLogP3.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43226534
3-[2-(3,4-dimethoxyphenyl)sulfanylacetyl]benzonitrile
CID 91880262
2-[3-[2-(3,4-dimethoxyphenyl)sulfanylacetyl]phenyl]acetic acid
CID 91880265
1-(3-fluorophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 43226526
1-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)sulfanylethanone
CID 91880273
N-[3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
CID 19299592
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(3-fluorophenyl)ethanone
CID 8676248
2-(4-chlorophenyl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43220181
1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanone
CID 66072256
1-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)sulfanylethanone
CID 91880247
2-(3,4-dimethoxyphenyl)sulfanyl-1-(4-nitrophenyl)ethanone
CID 91880270
1-(3-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43612412

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanyl-1-(3-fluorophenyl)ethanone?
The IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanyl-1-(3-fluorophenyl)ethanone (CID 91880258) is 2-(3,4-dimethoxyphenyl)sulfanyl-1-(3-fluorophenyl)ethanone.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)sulfanyl-1-(3-fluorophenyl)ethanone?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)sulfanyl-1-(3-fluorophenyl)ethanone is COc1ccc(SCC(=O)c2cccc(F)c2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)sulfanyl-1-(3-fluorophenyl)ethanone?
The InChIKey is WNWVQXOQVTXIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3S/c1-19-15-7-6-13(9-16(15)20-2)21-10-14(18)11-4-3-5-12(17)8-11/h3-9H,10H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)sulfanyl-1-(3-fluorophenyl)ethanone?
2-(3,4-dimethoxyphenyl)sulfanyl-1-(3-fluorophenyl)ethanone has a molecular weight of 306.36 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)sulfanyl-1-(3-fluorophenyl)ethanone is sourced from PubChem (CID 91880258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).