2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol

C15H14ClFO3S — CID 102867542

IUPAC2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol
SMILESCS(=O)(=O)c1ccc(C(O)Cc2cccc(Cl)c2F)cc1
InChIInChI=1S/C15H14ClFO3S/c1-21(19,20)12-7-5-10(6-8-12)14(18)9-11-3-2-4-13(16)15(11)17/h2-8,14,18H,9H2,1H3
InChIKeyMDLAGQQEWZQVOR-UHFFFAOYSA-N
MW328.79 g/mol
LogP3.16
Rot. Bonds4

About 2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol

2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol (PubChem CID 102867542) has the molecular formula C15H14ClFO3S and a molecular weight of 328.79 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol
PubChem CID102867542
Molecular FormulaC15H14ClFO3S
Molecular Weight328.79 g/mol
Exact Mass328.03
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol
SMILESCS(=O)(=O)c1ccc(C(O)Cc2cccc(Cl)c2F)cc1
InChIInChI=1S/C15H14ClFO3S/c1-21(19,20)12-7-5-10(6-8-12)14(18)9-11-3-2-4-13(16)15(11)17/h2-8,14,18H,9H2,1H3
InChIKeyMDLAGQQEWZQVOR-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-methylsulfonylphenyl)ethanol
CID 114982296
2-(3-chloro-2-fluorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 102856962
2-(3-chloro-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanol
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2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 102865739
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol
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1-(3-chloro-2-fluorophenyl)-3-methylsulfonylpropan-2-amine
CID 102867071
1-(4-methylsulfonylphenyl)-2-phenylethanol
CID 19073233
1-(4-bromo-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102856976
2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanol
CID 82803178
2-(3-chloro-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 82802615
2-(3-chloro-2-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 102867481
2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 116810239

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol (CID 102867542) is 2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol is CS(=O)(=O)c1ccc(C(O)Cc2cccc(Cl)c2F)cc1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol?
The InChIKey is MDLAGQQEWZQVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO3S/c1-21(19,20)12-7-5-10(6-8-12)14(18)9-11-3-2-4-13(16)15(11)17/h2-8,14,18H,9H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol?
2-(3-chloro-2-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-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 102867542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).