1-[5-fluoro-2-hydroxy-3-[(2-methoxyphenyl)sulfanylmethyl]phenyl]ethanone

C16H15FO3S — CID 61292071

IUPAC1-[5-fluoro-2-hydroxy-3-[(2-methoxyphenyl)sulfanylmethyl]phenyl]ethanone
SMILESCOc1ccccc1SCc1cc(F)cc(C(C)=O)c1O
InChIInChI=1S/C16H15FO3S/c1-10(18)13-8-12(17)7-11(16(13)19)9-21-15-6-4-3-5-14(15)20-2/h3-8,19H,9H2,1-2H3
InChIKeyVTIKXLUGKCEBKX-UHFFFAOYSA-N
MW306.36 g/mol
LogP4.03
Rot. Bonds5

About 1-[5-fluoro-2-hydroxy-3-[(2-methoxyphenyl)sulfanylmethyl]phenyl]ethanone

1-[5-fluoro-2-hydroxy-3-[(2-methoxyphenyl)sulfanylmethyl]phenyl]ethanone (PubChem CID 61292071) has the molecular formula C16H15FO3S and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-[5-fluoro-2-hydroxy-3-[(2-methoxyphenyl)sulfanylmethyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-2-hydroxy-3-[(2-methoxyphenyl)sulfanylmethyl]phenyl]ethanone
PubChem CID61292071
Molecular FormulaC16H15FO3S
Molecular Weight306.36 g/mol
Exact Mass306.07
IUPAC Name1-[5-fluoro-2-hydroxy-3-[(2-methoxyphenyl)sulfanylmethyl]phenyl]ethanone
SMILESCOc1ccccc1SCc1cc(F)cc(C(C)=O)c1O
InChIInChI=1S/C16H15FO3S/c1-10(18)13-8-12(17)7-11(16(13)19)9-21-15-6-4-3-5-14(15)20-2/h3-8,19H,9H2,1-2H3
InChIKeyVTIKXLUGKCEBKX-UHFFFAOYSA-N
XLogP4.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-fluoro-2-hydroxy-3-(4-hydroxybutan-2-ylsulfanylmethyl)phenyl]ethanone
CID 66138624
1-[2-[2-(2-methoxyphenyl)sulfanylethoxy]phenyl]ethanone
CID 61292258
1-[5-fluoro-2-hydroxy-3-(pyrazin-2-ylsulfanylmethyl)phenyl]ethanone
CID 63381427
[3-fluoro-4-[(2-methoxyphenyl)sulfanylmethyl]phenyl]methanamine
CID 61291113
4-[(2-methoxyphenyl)sulfanylmethyl]-1H-quinolin-2-one
CID 6324316
1-[5-fluoro-2-hydroxy-3-(methylsulfonylmethyl)phenyl]ethanone
CID 62785315
1-(2,5-difluoro-3-methoxyphenyl)ethanone
CID 84660399
1-[2-(2,5-dimethoxyphenyl)-5-fluorophenyl]ethanone
CID 175647048
2-amino-4-[(2-methoxyphenyl)sulfanylmethyl]phenol
CID 61296158
1-[4-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]phenyl]ethanone
CID 104794994
1-[5-fluoro-2-hydroxy-3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]phenyl]ethanone
CID 62029375
2-bromo-1-fluoro-4-[(2-methoxyphenyl)sulfanylmethyl]benzene
CID 54971139

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-hydroxy-3-[(2-methoxyphenyl)sulfanylmethyl]phenyl]ethanone?
The IUPAC name of 1-[5-fluoro-2-hydroxy-3-[(2-methoxyphenyl)sulfanylmethyl]phenyl]ethanone (CID 61292071) is 1-[5-fluoro-2-hydroxy-3-[(2-methoxyphenyl)sulfanylmethyl]phenyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-2-hydroxy-3-[(2-methoxyphenyl)sulfanylmethyl]phenyl]ethanone?
The canonical SMILES for 1-[5-fluoro-2-hydroxy-3-[(2-methoxyphenyl)sulfanylmethyl]phenyl]ethanone is COc1ccccc1SCc1cc(F)cc(C(C)=O)c1O.
What is the InChIKey of 1-[5-fluoro-2-hydroxy-3-[(2-methoxyphenyl)sulfanylmethyl]phenyl]ethanone?
The InChIKey is VTIKXLUGKCEBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3S/c1-10(18)13-8-12(17)7-11(16(13)19)9-21-15-6-4-3-5-14(15)20-2/h3-8,19H,9H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-hydroxy-3-[(2-methoxyphenyl)sulfanylmethyl]phenyl]ethanone?
1-[5-fluoro-2-hydroxy-3-[(2-methoxyphenyl)sulfanylmethyl]phenyl]ethanone has a molecular weight of 306.36 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-hydroxy-3-[(2-methoxyphenyl)sulfanylmethyl]phenyl]ethanone is sourced from PubChem (CID 61292071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).