2-(2-chloro-6-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol

C15H14ClFO3S — CID 114982296

IUPAC2-(2-chloro-6-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol
SMILESCS(=O)(=O)c1ccc(C(O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C15H14ClFO3S/c1-21(19,20)11-7-5-10(6-8-11)15(18)9-12-13(16)3-2-4-14(12)17/h2-8,15,18H,9H2,1H3
InChIKeyZHIUBMXYRCFDSV-UHFFFAOYSA-N
MW328.79 g/mol
LogP3.16
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol

2-(2-chloro-6-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol (PubChem CID 114982296) has the molecular formula C15H14ClFO3S and a molecular weight of 328.79 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol
PubChem CID114982296
Molecular FormulaC15H14ClFO3S
Molecular Weight328.79 g/mol
Exact Mass328.03
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol
SMILESCS(=O)(=O)c1ccc(C(O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C15H14ClFO3S/c1-21(19,20)11-7-5-10(6-8-11)15(18)9-12-13(16)3-2-4-14(12)17/h2-8,15,18H,9H2,1H3
InChIKeyZHIUBMXYRCFDSV-UHFFFAOYSA-N
XLogP3.16
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.79
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 61100900
2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol
CID 102867542
2-(2-chloro-6-fluorophenyl)-1-(4-propylphenyl)ethanol
CID 63410788
2-(2-chloro-6-fluorophenyl)-1-(4-ethoxyphenyl)ethanol
CID 61099366
2-(2-chloro-6-fluorophenyl)-1-pyridin-4-ylethanol
CID 61495940
2-(2-chloro-6-fluorophenyl)-1-(3-chlorophenyl)ethanol
CID 61495863
1-(4-methylsulfonylphenyl)-2-phenylethanol
CID 19073233
2-(2-chloro-6-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 63019201
2-(2,3-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol
CID 109416073
2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 81478146
2-(2-fluoro-N-methylanilino)-1-(4-methylsulfonylphenyl)ethanol
CID 110924112
2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 63426367

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol (CID 114982296) is 2-(2-chloro-6-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol is CS(=O)(=O)c1ccc(C(O)Cc2c(F)cccc2Cl)cc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol?
The InChIKey is ZHIUBMXYRCFDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO3S/c1-21(19,20)11-7-5-10(6-8-11)15(18)9-12-13(16)3-2-4-14(12)17/h2-8,15,18H,9H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol?
2-(2-chloro-6-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol has a molecular weight of 328.79 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 114982296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).