1-(5-fluoro-2-hydroxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone

C16H15FO2S — CID 62770713

IUPAC1-(5-fluoro-2-hydroxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone
SMILESCc1ccccc1CSCC(=O)c1cc(F)ccc1O
InChIInChI=1S/C16H15FO2S/c1-11-4-2-3-5-12(11)9-20-10-16(19)14-8-13(17)6-7-15(14)18/h2-8,18H,9-10H2,1H3
InChIKeyQOOZAGVFIRGUHE-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.96
Rot. Bonds5

About 1-(5-fluoro-2-hydroxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone

1-(5-fluoro-2-hydroxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone (PubChem CID 62770713) has the molecular formula C16H15FO2S and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(5-fluoro-2-hydroxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-hydroxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone
PubChem CID62770713
Molecular FormulaC16H15FO2S
Molecular Weight290.36 g/mol
Exact Mass290.08
IUPAC Name1-(5-fluoro-2-hydroxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone
SMILESCc1ccccc1CSCC(=O)c1cc(F)ccc1O
InChIInChI=1S/C16H15FO2S/c1-11-4-2-3-5-12(11)9-20-10-16(19)14-8-13(17)6-7-15(14)18/h2-8,18H,9-10H2,1H3
InChIKeyQOOZAGVFIRGUHE-UHFFFAOYSA-N
XLogP3.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone
CID 62771239
1-(5-fluoro-2-hydroxyphenyl)-2-(2-fluorophenyl)ethanone
CID 53234531
2-(2-chlorophenyl)-1-(5-fluoro-2-hydroxyphenyl)ethanone
CID 2778590
1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylfuran-3-yl)sulfanylethanone
CID 114000859
1-(1-benzofuran-2-yl)-2-[(2-methylphenyl)methylsulfanyl]ethanone
CID 60623861
N-[(4-fluorophenyl)methylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 758345
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-fluoro-2-hydroxyphenyl)ethanone
CID 60779168
N-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 7985076
4-fluoro-2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103829572
1-[2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrrol-3-yl]-2-[(2-methylphenyl)methylsulfanyl]ethanone
CID 2542687
1-(5-fluoro-2-hydroxyphenyl)-2-(methylamino)ethanone
CID 82601575
2-[(4-fluoro-2-methylphenyl)methylsulfanyl]phenol
CID 113411833

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone?
The IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone (CID 62770713) is 1-(5-fluoro-2-hydroxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone.
What is the SMILES notation for 1-(5-fluoro-2-hydroxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone?
The canonical SMILES for 1-(5-fluoro-2-hydroxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone is Cc1ccccc1CSCC(=O)c1cc(F)ccc1O.
What is the InChIKey of 1-(5-fluoro-2-hydroxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone?
The InChIKey is QOOZAGVFIRGUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2S/c1-11-4-2-3-5-12(11)9-20-10-16(19)14-8-13(17)6-7-15(14)18/h2-8,18H,9-10H2,1H3.
What are the key properties of 1-(5-fluoro-2-hydroxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone?
1-(5-fluoro-2-hydroxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone has a molecular weight of 290.36 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-hydroxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone is sourced from PubChem (CID 62770713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).