1-(3-fluoro-5-methylsulfonylphenyl)ethanol

C9H11FO3S — CID 84683544

IUPAC1-(3-fluoro-5-methylsulfonylphenyl)ethanol
SMILESCC(O)c1cc(F)cc(S(C)(=O)=O)c1
InChIInChI=1S/C9H11FO3S/c1-6(11)7-3-8(10)5-9(4-7)14(2,12)13/h3-6,11H,1-2H3
InChIKeySDJFCKBHPQBRMT-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.28
Rot. Bonds2

About 1-(3-fluoro-5-methylsulfonylphenyl)ethanol

1-(3-fluoro-5-methylsulfonylphenyl)ethanol (PubChem CID 84683544) has the molecular formula C9H11FO3S and a molecular weight of 218.25 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-fluoro-5-methylsulfonylphenyl)ethanol
PubChem CID84683544
Molecular FormulaC9H11FO3S
Molecular Weight218.25 g/mol
Exact Mass218.04
IUPAC Name1-(3-fluoro-5-methylsulfonylphenyl)ethanol
SMILESCC(O)c1cc(F)cc(S(C)(=O)=O)c1
InChIInChI=1S/C9H11FO3S/c1-6(11)7-3-8(10)5-9(4-7)14(2,12)13/h3-6,11H,1-2H3
InChIKeySDJFCKBHPQBRMT-UHFFFAOYSA-N
XLogP1.28
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-fluoro-5-methylsulfonylphenyl)ethanol
CID 84696588
1-fluoro-3-methylsulfonyl-5-propan-2-ylbenzene;1-methoxy-3-methylsulfonyl-5-propan-2-ylbenzene
CID 176666160
1-(2,3-difluoro-5-methylsulfonylphenyl)ethanol
CID 117344397
ethane;(1S)-1-(4-methylsulfonylphenyl)ethanol
CID 143418064
1-(3,5-difluorophenyl)ethanol;1-(3,5-difluorophenyl)ethanone
CID 158070226
(3-fluoro-5-methylsulfonylphenyl) trifluoromethanesulfonate
CID 174416516
(1R)-1-[3-fluoro-4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol
CID 78951660
(1R)-1-[3-fluoro-4-(4-methylsulfonylphenoxy)phenyl]ethanol
CID 63374650
3-(3-fluoro-5-methylsulfonylphenyl)propan-1-ol
CID 117336179
1-butan-2-yl-3-(difluoromethylsulfonyl)-5-fluorobenzene
CID 176956896
2-[chloro-(4-methylsulfonylphenyl)methyl]-1,3,5-trifluorobenzene
CID 61084333
(1R)-1-(3-amino-4-methylsulfonylphenyl)ethanol
CID 124908033

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylsulfonylphenyl)ethanol?
The IUPAC name of 1-(3-fluoro-5-methylsulfonylphenyl)ethanol (CID 84683544) is 1-(3-fluoro-5-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 1-(3-fluoro-5-methylsulfonylphenyl)ethanol?
The canonical SMILES for 1-(3-fluoro-5-methylsulfonylphenyl)ethanol is CC(O)c1cc(F)cc(S(C)(=O)=O)c1.
What is the InChIKey of 1-(3-fluoro-5-methylsulfonylphenyl)ethanol?
The InChIKey is SDJFCKBHPQBRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO3S/c1-6(11)7-3-8(10)5-9(4-7)14(2,12)13/h3-6,11H,1-2H3.
What are the key properties of 1-(3-fluoro-5-methylsulfonylphenyl)ethanol?
1-(3-fluoro-5-methylsulfonylphenyl)ethanol has a molecular weight of 218.25 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 84683544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).