1-cyclopropyl-1-(4-fluorophenyl)-2-methylsulfonylethanol

C12H15FO3S — CID 4304537

IUPAC1-cyclopropyl-1-(4-fluorophenyl)-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C12H15FO3S/c1-17(15,16)8-12(14,9-2-3-9)10-4-6-11(13)7-5-10/h4-7,9,14H,2-3,8H2,1H3
InChIKeyWBNXAAGOENILNR-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.47
Rot. Bonds4

About 1-cyclopropyl-1-(4-fluorophenyl)-2-methylsulfonylethanol

1-cyclopropyl-1-(4-fluorophenyl)-2-methylsulfonylethanol (PubChem CID 4304537) has the molecular formula C12H15FO3S and a molecular weight of 258.31 g/mol. Its IUPAC name is 1-cyclopropyl-1-(4-fluorophenyl)-2-methylsulfonylethanol.

Molecular Properties

Compound Name1-cyclopropyl-1-(4-fluorophenyl)-2-methylsulfonylethanol
PubChem CID4304537
Molecular FormulaC12H15FO3S
Molecular Weight258.31 g/mol
Exact Mass258.07
IUPAC Name1-cyclopropyl-1-(4-fluorophenyl)-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C12H15FO3S/c1-17(15,16)8-12(14,9-2-3-9)10-4-6-11(13)7-5-10/h4-7,9,14H,2-3,8H2,1H3
InChIKeyWBNXAAGOENILNR-UHFFFAOYSA-N
XLogP1.47
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-(dimethylamino)-1-(4-fluorophenyl)ethanol
CID 82114809
3-cyclohexyl-3-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 82049889
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-(4-fluorophenyl)methanesulfonamide
CID 90535501
N-(2-cyclopropyl-2-hydroxypropyl)-4-fluorobenzenesulfonamide
CID 90499351
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(4-fluorophenyl)methanesulfonamide
CID 52907137
cyclopropyl-(4-fluorophenyl)-(4-methoxyphenyl)methanol
CID 154301932
2-cyclopropyl-2-(4-fluorophenyl)propan-1-amine
CID 83830466
1-cyclopropyl-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 64918280
3-cyclopropyl-3-hydroxy-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 112507671
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-fluorobenzenesulfonamide
CID 71788798
1-cyclopropyl-1-(3-fluoro-4-methylphenyl)propan-1-ol
CID 107128071
1-cyclopropyl-2-(dimethylamino)-1-(4-methylphenyl)ethanol
CID 82114256

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(4-fluorophenyl)-2-methylsulfonylethanol?
The IUPAC name of 1-cyclopropyl-1-(4-fluorophenyl)-2-methylsulfonylethanol (CID 4304537) is 1-cyclopropyl-1-(4-fluorophenyl)-2-methylsulfonylethanol.
What is the SMILES notation for 1-cyclopropyl-1-(4-fluorophenyl)-2-methylsulfonylethanol?
The canonical SMILES for 1-cyclopropyl-1-(4-fluorophenyl)-2-methylsulfonylethanol is CS(=O)(=O)CC(O)(c1ccc(F)cc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(4-fluorophenyl)-2-methylsulfonylethanol?
The InChIKey is WBNXAAGOENILNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3S/c1-17(15,16)8-12(14,9-2-3-9)10-4-6-11(13)7-5-10/h4-7,9,14H,2-3,8H2,1H3.
What are the key properties of 1-cyclopropyl-1-(4-fluorophenyl)-2-methylsulfonylethanol?
1-cyclopropyl-1-(4-fluorophenyl)-2-methylsulfonylethanol has a molecular weight of 258.31 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(4-fluorophenyl)-2-methylsulfonylethanol is sourced from PubChem (CID 4304537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).