1-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylethanol

C15H15FO3S — CID 72829286

IUPAC1-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylethanol
SMILESCc1ccc(S(=O)(=O)CC(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H15FO3S/c1-11-2-8-14(9-3-11)20(18,19)10-15(17)12-4-6-13(16)7-5-12/h2-9,15,17H,10H2,1H3
InChIKeyUQRKNPZDSYFGFH-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.64
Rot. Bonds4

About 1-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylethanol

1-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylethanol (PubChem CID 72829286) has the molecular formula C15H15FO3S and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylethanol
PubChem CID72829286
Molecular FormulaC15H15FO3S
Molecular Weight294.35 g/mol
Exact Mass294.07
IUPAC Name1-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylethanol
SMILESCc1ccc(S(=O)(=O)CC(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H15FO3S/c1-11-2-8-14(9-3-11)20(18,19)10-15(17)12-4-6-13(16)7-5-12/h2-9,15,17H,10H2,1H3
InChIKeyUQRKNPZDSYFGFH-UHFFFAOYSA-N
XLogP2.64
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol
CID 12920544
[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl] 4-methylbenzenesulfonate
CID 10757322
1-(4-methylphenyl)-2-(3-methylphenyl)sulfonylethanol
CID 106585286
1-amino-3-(4-methylphenyl)sulfonylpropan-2-ol
CID 79022105
1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)propylsulfonyl]ethanol
CID 111437334
2-(2-chlorophenyl)sulfonyl-1-(4-methylphenyl)ethanol
CID 106585066
[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]azanium
CID 38989030
(2S)-3-(4-fluorophenyl)sulfonyl-2-methylpropanoic acid
CID 28753239
2-(benzenesulfonyl)-1-(4-ethylphenyl)ethanol
CID 62917385
(2R)-2-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)ethanamine
CID 9161877
1-(2,2-diiodoethylsulfonyl)-4-methylbenzene
CID 10993804
2-(4-chlorophenyl)sulfonyl-1-(3-methylphenyl)ethanol
CID 106584901

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylethanol (CID 72829286) is 1-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylethanol is Cc1ccc(S(=O)(=O)CC(O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylethanol?
The InChIKey is UQRKNPZDSYFGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO3S/c1-11-2-8-14(9-3-11)20(18,19)10-15(17)12-4-6-13(16)7-5-12/h2-9,15,17H,10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylethanol?
1-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylethanol has a molecular weight of 294.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylethanol is sourced from PubChem (CID 72829286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).