1-[4-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]phenyl]ethanone

C16H15FO2S — CID 104794994

IUPAC1-[4-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]phenyl]ethanone
SMILESCOc1cccc(CSc2ccc(C(C)=O)cc2)c1F
InChIInChI=1S/C16H15FO2S/c1-11(18)12-6-8-14(9-7-12)20-10-13-4-3-5-15(19-2)16(13)17/h3-9H,10H2,1-2H3
InChIKeyFVUSTUSGDRSZDG-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.33
Rot. Bonds5

About 1-[4-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]phenyl]ethanone

1-[4-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]phenyl]ethanone (PubChem CID 104794994) has the molecular formula C16H15FO2S and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[4-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]phenyl]ethanone
PubChem CID104794994
Molecular FormulaC16H15FO2S
Molecular Weight290.36 g/mol
Exact Mass290.08
IUPAC Name1-[4-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]phenyl]ethanone
SMILESCOc1cccc(CSc2ccc(C(C)=O)cc2)c1F
InChIInChI=1S/C16H15FO2S/c1-11(18)12-6-8-14(9-7-12)20-10-13-4-3-5-15(19-2)16(13)17/h3-9H,10H2,1-2H3
InChIKeyFVUSTUSGDRSZDG-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylsulfanylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 106847880
2-chloro-1-[4-[(2-methoxyphenyl)methylsulfanyl]phenyl]ethanone
CID 94780649
1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-2-one
CID 104793475
1-[4-[(2-methoxyphenyl)methylsulfanyl]phenyl]pentan-1-one
CID 94779717
2-(2-fluoro-3-methoxyphenyl)-1-(4-methoxyphenyl)ethanone
CID 104793354
[2-fluoro-3-[(4-methoxyphenyl)sulfanylmethyl]phenyl]methanamine
CID 107118884
N-[4-[(2,3-difluorophenyl)methylsulfanyl]phenyl]acetamide
CID 26301339
methyl 3-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]-2-methylpropanoate
CID 113453500
1-(2-fluoro-3-methoxyphenyl)-3-methoxypropan-2-one
CID 104793398
2-[2-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 104791242
4-(2-fluoro-3-methoxyphenyl)sulfanylbenzoic acid
CID 154448195
1-(2-fluoro-3-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
CID 104793473

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]phenyl]ethanone (CID 104794994) is 1-[4-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]phenyl]ethanone is COc1cccc(CSc2ccc(C(C)=O)cc2)c1F.
What is the InChIKey of 1-[4-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]phenyl]ethanone?
The InChIKey is FVUSTUSGDRSZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2S/c1-11(18)12-6-8-14(9-7-12)20-10-13-4-3-5-15(19-2)16(13)17/h3-9H,10H2,1-2H3.
What are the key properties of 1-[4-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]phenyl]ethanone?
1-[4-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]phenyl]ethanone has a molecular weight of 290.36 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]phenyl]ethanone is sourced from PubChem (CID 104794994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).