3-fluoro-2-(2-methoxyphenyl)sulfanylphenol

C13H11FO2S — CID 91388635

IUPAC3-fluoro-2-(2-methoxyphenyl)sulfanylphenol
SMILESCOc1ccccc1Sc1c(O)cccc1F
InChIInChI=1S/C13H11FO2S/c1-16-11-7-2-3-8-12(11)17-13-9(14)5-4-6-10(13)15/h2-8,15H,1H3
InChIKeyYXTKCLZRNFMORF-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.69
Rot. Bonds3

About 3-fluoro-2-(2-methoxyphenyl)sulfanylphenol

3-fluoro-2-(2-methoxyphenyl)sulfanylphenol (PubChem CID 91388635) has the molecular formula C13H11FO2S and a molecular weight of 250.29 g/mol. Its IUPAC name is 3-fluoro-2-(2-methoxyphenyl)sulfanylphenol.

Molecular Properties

Compound Name3-fluoro-2-(2-methoxyphenyl)sulfanylphenol
PubChem CID91388635
Molecular FormulaC13H11FO2S
Molecular Weight250.29 g/mol
Exact Mass250.05
IUPAC Name3-fluoro-2-(2-methoxyphenyl)sulfanylphenol
SMILESCOc1ccccc1Sc1c(O)cccc1F
InChIInChI=1S/C13H11FO2S/c1-16-11-7-2-3-8-12(11)17-13-9(14)5-4-6-10(13)15/h2-8,15H,1H3
InChIKeyYXTKCLZRNFMORF-UHFFFAOYSA-N
XLogP3.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-2-(2-methoxyphenyl)sulfanylaniline
CID 55085835
2-fluoro-1-methoxy-3-methylsulfanylbenzene
CID 91881055
2-(2-fluoro-3-methoxyphenyl)phenol
CID 53218569
2-(2-fluorophenyl)benzene-1,3-diol;2-(2-fluorophenyl)-1,3-dimethoxybenzene
CID 159382015
1-methoxy-2-[(2-methoxyphenyl)tetrasulfanyl]benzene
CID 54020197
3-fluoro-4-(2-methoxyphenyl)sulfanylbenzonitrile
CID 61296343
(1S)-1-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]ethanol
CID 78951739
4-hydroxy-5-(2-methoxyphenyl)sulfanyl-1H-pyrimidin-6-one
CID 11096993
1,2-difluoro-3-(2-methoxyphenyl)benzene
CID 57230342
1-[2-(2-methoxyphenyl)sulfanylphenyl]ethanol
CID 63835196
(2-fluoro-6-methoxyphenyl)-(2-hydroxy-6-methoxyphenyl)methanone
CID 14629523
2-(2,3-difluorophenyl)-6-methoxyphenol
CID 83130446

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2-methoxyphenyl)sulfanylphenol?
The IUPAC name of 3-fluoro-2-(2-methoxyphenyl)sulfanylphenol (CID 91388635) is 3-fluoro-2-(2-methoxyphenyl)sulfanylphenol.
What is the SMILES notation for 3-fluoro-2-(2-methoxyphenyl)sulfanylphenol?
The canonical SMILES for 3-fluoro-2-(2-methoxyphenyl)sulfanylphenol is COc1ccccc1Sc1c(O)cccc1F.
What is the InChIKey of 3-fluoro-2-(2-methoxyphenyl)sulfanylphenol?
The InChIKey is YXTKCLZRNFMORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO2S/c1-16-11-7-2-3-8-12(11)17-13-9(14)5-4-6-10(13)15/h2-8,15H,1H3.
What are the key properties of 3-fluoro-2-(2-methoxyphenyl)sulfanylphenol?
3-fluoro-2-(2-methoxyphenyl)sulfanylphenol has a molecular weight of 250.29 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(2-methoxyphenyl)sulfanylphenol is sourced from PubChem (CID 91388635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).