2-fluoro-6-(3-hydroxypropyl)-3-methylsulfonylphenol

C10H13FO4S — CID 117373166

IUPAC2-fluoro-6-(3-hydroxypropyl)-3-methylsulfonylphenol
SMILESCS(=O)(=O)c1ccc(CCCO)c(O)c1F
InChIInChI=1S/C10H13FO4S/c1-16(14,15)8-5-4-7(3-2-6-12)10(13)9(8)11/h4-5,12-13H,2-3,6H2,1H3
InChIKeyAEWMAKYCGNJWNI-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.86
Rot. Bonds4

About 2-fluoro-6-(3-hydroxypropyl)-3-methylsulfonylphenol

2-fluoro-6-(3-hydroxypropyl)-3-methylsulfonylphenol (PubChem CID 117373166) has the molecular formula C10H13FO4S and a molecular weight of 248.27 g/mol. Its IUPAC name is 2-fluoro-6-(3-hydroxypropyl)-3-methylsulfonylphenol.

Molecular Properties

Compound Name2-fluoro-6-(3-hydroxypropyl)-3-methylsulfonylphenol
PubChem CID117373166
Molecular FormulaC10H13FO4S
Molecular Weight248.27 g/mol
Exact Mass248.05
IUPAC Name2-fluoro-6-(3-hydroxypropyl)-3-methylsulfonylphenol
SMILESCS(=O)(=O)c1ccc(CCCO)c(O)c1F
InChIInChI=1S/C10H13FO4S/c1-16(14,15)8-5-4-7(3-2-6-12)10(13)9(8)11/h4-5,12-13H,2-3,6H2,1H3
InChIKeyAEWMAKYCGNJWNI-UHFFFAOYSA-N
XLogP0.86
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-aminoethyl)-2-fluoro-3-methylsulfonylphenol
CID 117337806
3-(3-fluoro-2-hydroxy-4-methylsulfonylphenyl)propanoic acid
CID 117409765
6-(2-amino-2-methylpropyl)-2-fluoro-3-methylsulfonylphenol
CID 117407300
2,3-difluoro-6-(3-hydroxypropyl)phenol
CID 117280989
2-fluoro-6-[(1-hydroxycyclopropyl)methyl]-3-methylsulfonylphenol
CID 117404537
3-(3-fluoro-2-hydroxy-4-methylsulfonylphenyl)-2,2-dimethylpropanoic acid
CID 117468898
2-fluoro-3-methylsulfonyl-6-(2-piperazin-1-ylethyl)phenol
CID 117487132
3-(5-chloro-2-methylsulfonylphenyl)propan-1-ol
CID 117374971
2-fluoro-3-methylsulfonyl-6-(piperazin-1-ylmethyl)phenol
CID 117465783
2-fluoro-6-(1-hydroxypropan-2-yl)-3-methylsulfonylphenol
CID 117373177
3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol
CID 117378649
(2,3-difluoro-4-methylsulfonylphenyl)methanamine
CID 117315311

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(3-hydroxypropyl)-3-methylsulfonylphenol?
The IUPAC name of 2-fluoro-6-(3-hydroxypropyl)-3-methylsulfonylphenol (CID 117373166) is 2-fluoro-6-(3-hydroxypropyl)-3-methylsulfonylphenol.
What is the SMILES notation for 2-fluoro-6-(3-hydroxypropyl)-3-methylsulfonylphenol?
The canonical SMILES for 2-fluoro-6-(3-hydroxypropyl)-3-methylsulfonylphenol is CS(=O)(=O)c1ccc(CCCO)c(O)c1F.
What is the InChIKey of 2-fluoro-6-(3-hydroxypropyl)-3-methylsulfonylphenol?
The InChIKey is AEWMAKYCGNJWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO4S/c1-16(14,15)8-5-4-7(3-2-6-12)10(13)9(8)11/h4-5,12-13H,2-3,6H2,1H3.
What are the key properties of 2-fluoro-6-(3-hydroxypropyl)-3-methylsulfonylphenol?
2-fluoro-6-(3-hydroxypropyl)-3-methylsulfonylphenol has a molecular weight of 248.27 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(3-hydroxypropyl)-3-methylsulfonylphenol is sourced from PubChem (CID 117373166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).