4-fluoro-2-(2-hydroxyethyl)-5-methylsulfonylphenol

C9H11FO4S — CID 117340042

IUPAC4-fluoro-2-(2-hydroxyethyl)-5-methylsulfonylphenol
SMILESCS(=O)(=O)c1cc(O)c(CCO)cc1F
InChIInChI=1S/C9H11FO4S/c1-15(13,14)9-5-8(12)6(2-3-11)4-7(9)10/h4-5,11-12H,2-3H2,1H3
InChIKeyJADUUYAUIMQVTH-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.47
Rot. Bonds3

About 4-fluoro-2-(2-hydroxyethyl)-5-methylsulfonylphenol

4-fluoro-2-(2-hydroxyethyl)-5-methylsulfonylphenol (PubChem CID 117340042) has the molecular formula C9H11FO4S and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-fluoro-2-(2-hydroxyethyl)-5-methylsulfonylphenol.

Molecular Properties

Compound Name4-fluoro-2-(2-hydroxyethyl)-5-methylsulfonylphenol
PubChem CID117340042
Molecular FormulaC9H11FO4S
Molecular Weight234.25 g/mol
Exact Mass234.04
IUPAC Name4-fluoro-2-(2-hydroxyethyl)-5-methylsulfonylphenol
SMILESCS(=O)(=O)c1cc(O)c(CCO)cc1F
InChIInChI=1S/C9H11FO4S/c1-15(13,14)9-5-8(12)6(2-3-11)4-7(9)10/h4-5,11-12H,2-3H2,1H3
InChIKeyJADUUYAUIMQVTH-UHFFFAOYSA-N
XLogP0.47
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-difluoro-4-methylsulfonylphenyl)ethanamine
CID 117341939
N-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]hydroxylamine
CID 117346067
2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)acetic acid
CID 117409770
4-fluoro-5-methylsulfonyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117435690
3-amino-3-(5-fluoro-2-hydroxy-4-methylsulfonylphenyl)propanoic acid
CID 117443870
1-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]cyclopropan-1-ol
CID 117409978
1-(2,5-difluoro-4-methylsulfonylphenyl)-2-methylpropan-2-amine
CID 117412591
2-(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 117399289
O-[2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117412246
2-fluoro-6-(3-hydroxypropyl)-3-methylsulfonylphenol
CID 117373166
3-(3-fluoro-4-methylsulfonylphenyl)propanoic acid
CID 84803162
N-(diaminomethylidene)-2-ethyl-4-fluoro-5-methylsulfonylbenzamide
CID 22101398

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-hydroxyethyl)-5-methylsulfonylphenol?
The IUPAC name of 4-fluoro-2-(2-hydroxyethyl)-5-methylsulfonylphenol (CID 117340042) is 4-fluoro-2-(2-hydroxyethyl)-5-methylsulfonylphenol.
What is the SMILES notation for 4-fluoro-2-(2-hydroxyethyl)-5-methylsulfonylphenol?
The canonical SMILES for 4-fluoro-2-(2-hydroxyethyl)-5-methylsulfonylphenol is CS(=O)(=O)c1cc(O)c(CCO)cc1F.
What is the InChIKey of 4-fluoro-2-(2-hydroxyethyl)-5-methylsulfonylphenol?
The InChIKey is JADUUYAUIMQVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO4S/c1-15(13,14)9-5-8(12)6(2-3-11)4-7(9)10/h4-5,11-12H,2-3H2,1H3.
What are the key properties of 4-fluoro-2-(2-hydroxyethyl)-5-methylsulfonylphenol?
4-fluoro-2-(2-hydroxyethyl)-5-methylsulfonylphenol has a molecular weight of 234.25 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-hydroxyethyl)-5-methylsulfonylphenol is sourced from PubChem (CID 117340042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).