[1-(2-cyclohexyl-3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol

C17H23FO3S — CID 67484697

IUPAC[1-(2-cyclohexyl-3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol
SMILESCS(=O)(=O)c1ccc(C2(CO)CC2)c(C2CCCCC2)c1F
InChIInChI=1S/C17H23FO3S/c1-22(20,21)14-8-7-13(17(11-19)9-10-17)15(16(14)18)12-5-3-2-4-6-12/h7-8,12,19H,2-6,9-11H2,1H3
InChIKeyTZIQOOGSJMCETA-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.30
Rot. Bonds4

About [1-(2-cyclohexyl-3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol

[1-(2-cyclohexyl-3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol (PubChem CID 67484697) has the molecular formula C17H23FO3S and a molecular weight of 326.43 g/mol. Its IUPAC name is [1-(2-cyclohexyl-3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(2-cyclohexyl-3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol
PubChem CID67484697
Molecular FormulaC17H23FO3S
Molecular Weight326.43 g/mol
Exact Mass326.14
IUPAC Name[1-(2-cyclohexyl-3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol
SMILESCS(=O)(=O)c1ccc(C2(CO)CC2)c(C2CCCCC2)c1F
InChIInChI=1S/C17H23FO3S/c1-22(20,21)14-8-7-13(17(11-19)9-10-17)15(16(14)18)12-5-3-2-4-6-12/h7-8,12,19H,2-6,9-11H2,1H3
InChIKeyTZIQOOGSJMCETA-UHFFFAOYSA-N
XLogP3.30
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-cyclohexyl-3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol?
The IUPAC name of [1-(2-cyclohexyl-3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol (CID 67484697) is [1-(2-cyclohexyl-3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol.
What is the SMILES notation for [1-(2-cyclohexyl-3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol?
The canonical SMILES for [1-(2-cyclohexyl-3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol is CS(=O)(=O)c1ccc(C2(CO)CC2)c(C2CCCCC2)c1F.
What is the InChIKey of [1-(2-cyclohexyl-3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol?
The InChIKey is TZIQOOGSJMCETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FO3S/c1-22(20,21)14-8-7-13(17(11-19)9-10-17)15(16(14)18)12-5-3-2-4-6-12/h7-8,12,19H,2-6,9-11H2,1H3.
What are the key properties of [1-(2-cyclohexyl-3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol?
[1-(2-cyclohexyl-3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol has a molecular weight of 326.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-cyclohexyl-3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol is sourced from PubChem (CID 67484697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).