2-fluoro-6-(1-hydroxypropan-2-yl)-3-methylsulfonylphenol

C10H13FO4S — CID 117373177

IUPAC2-fluoro-6-(1-hydroxypropan-2-yl)-3-methylsulfonylphenol
SMILESCC(CO)c1ccc(S(C)(=O)=O)c(F)c1O
InChIInChI=1S/C10H13FO4S/c1-6(5-12)7-3-4-8(16(2,14)15)9(11)10(7)13/h3-4,6,12-13H,5H2,1-2H3
InChIKeyAEAOSTGHUPNWNY-UHFFFAOYSA-N
MW248.27 g/mol
LogP1.03
Rot. Bonds3

About 2-fluoro-6-(1-hydroxypropan-2-yl)-3-methylsulfonylphenol

2-fluoro-6-(1-hydroxypropan-2-yl)-3-methylsulfonylphenol (PubChem CID 117373177) has the molecular formula C10H13FO4S and a molecular weight of 248.27 g/mol. Its IUPAC name is 2-fluoro-6-(1-hydroxypropan-2-yl)-3-methylsulfonylphenol.

Molecular Properties

Compound Name2-fluoro-6-(1-hydroxypropan-2-yl)-3-methylsulfonylphenol
PubChem CID117373177
Molecular FormulaC10H13FO4S
Molecular Weight248.27 g/mol
Exact Mass248.05
IUPAC Name2-fluoro-6-(1-hydroxypropan-2-yl)-3-methylsulfonylphenol
SMILESCC(CO)c1ccc(S(C)(=O)=O)c(F)c1O
InChIInChI=1S/C10H13FO4S/c1-6(5-12)7-3-4-8(16(2,14)15)9(11)10(7)13/h3-4,6,12-13H,5H2,1-2H3
InChIKeyAEAOSTGHUPNWNY-UHFFFAOYSA-N
XLogP1.03
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-6-[1-hydroxy-2-(methylamino)ethyl]-3-methylsulfonylphenol
CID 117412232
2-(5-chloro-2-methylsulfonylphenyl)propan-1-ol
CID 117374990
3-(2,3-difluoro-4-methylsulfonylphenyl)butanal
CID 117409970
2-fluoro-6-(3-hydroxypropyl)-3-methylsulfonylphenol
CID 117373166
2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol
CID 117378642
6-(2-aminoethyl)-2-fluoro-3-methylsulfonylphenol
CID 117337806
2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-1-amine
CID 117407315
6-(2-amino-2-methylpropyl)-2-fluoro-3-methylsulfonylphenol
CID 117407300
2-(2,3-difluoro-4-methylphenyl)propan-1-ol
CID 117280430
2-(2-methoxy-3-methylsulfonylphenyl)propan-1-ol
CID 117362805
3-(3-fluoro-2-hydroxy-4-methylsulfonylphenyl)propanoic acid
CID 117409765
2-(2,3-difluoro-4-methylsulfonylphenyl)-2-hydroxyacetic acid
CID 117419189

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(1-hydroxypropan-2-yl)-3-methylsulfonylphenol?
The IUPAC name of 2-fluoro-6-(1-hydroxypropan-2-yl)-3-methylsulfonylphenol (CID 117373177) is 2-fluoro-6-(1-hydroxypropan-2-yl)-3-methylsulfonylphenol.
What is the SMILES notation for 2-fluoro-6-(1-hydroxypropan-2-yl)-3-methylsulfonylphenol?
The canonical SMILES for 2-fluoro-6-(1-hydroxypropan-2-yl)-3-methylsulfonylphenol is CC(CO)c1ccc(S(C)(=O)=O)c(F)c1O.
What is the InChIKey of 2-fluoro-6-(1-hydroxypropan-2-yl)-3-methylsulfonylphenol?
The InChIKey is AEAOSTGHUPNWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO4S/c1-6(5-12)7-3-4-8(16(2,14)15)9(11)10(7)13/h3-4,6,12-13H,5H2,1-2H3.
What are the key properties of 2-fluoro-6-(1-hydroxypropan-2-yl)-3-methylsulfonylphenol?
2-fluoro-6-(1-hydroxypropan-2-yl)-3-methylsulfonylphenol has a molecular weight of 248.27 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(1-hydroxypropan-2-yl)-3-methylsulfonylphenol is sourced from PubChem (CID 117373177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).