1-(2-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-ol

C16H23FO3S — CID 114832922

IUPAC1-(2-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-ol
SMILESCC(O)(Cc1ccccc1F)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C16H23FO3S/c1-16(18,11-12-6-3-4-9-15(12)17)13-7-5-8-14(10-13)21(2,19)20/h3-4,6,9,13-14,18H,5,7-8,10-11H2,1-2H3
InChIKeyKNTNOZZZOZCRFJ-UHFFFAOYSA-N
MW314.42 g/mol
LogP2.72
Rot. Bonds4

About 1-(2-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-ol

1-(2-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-ol (PubChem CID 114832922) has the molecular formula C16H23FO3S and a molecular weight of 314.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-ol
PubChem CID114832922
Molecular FormulaC16H23FO3S
Molecular Weight314.42 g/mol
Exact Mass314.14
IUPAC Name1-(2-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-ol
SMILESCC(O)(Cc1ccccc1F)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C16H23FO3S/c1-16(18,11-12-6-3-4-9-15(12)17)13-7-5-8-14(10-13)21(2,19)20/h3-4,6,9,13-14,18H,5,7-8,10-11H2,1-2H3
InChIKeyKNTNOZZZOZCRFJ-UHFFFAOYSA-N
XLogP2.72
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-2-piperidin-4-ylpropan-2-ol
CID 105499385
6,6,6-trifluoro-2-(3-methylsulfonylcyclohexyl)hexan-2-ol
CID 116535923
2-(azepan-2-yl)-1-(2-fluorophenyl)propan-2-ol
CID 114832814
1-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol
CID 112652956
1-(furan-3-yl)-1-(3-methylsulfonylcyclohexyl)ethanol
CID 113315410
1-(2-chloro-3-fluorophenyl)-2-piperidin-3-ylpropan-2-ol
CID 112652978
2-cyclohexyl-1-naphthalen-1-ylpropan-2-ol
CID 114795042
3-(2-methylphenyl)-1-(3-methylsulfonylcyclohexyl)propan-1-one
CID 105117697
3-ethyl-1-(2-fluorophenyl)-2-methylpentan-2-ol
CID 114832904
2-(cyclopentylamino)-3-(2-fluorophenyl)-2-methylpropanamide
CID 114831945
(2-fluoro-5-methylphenyl)-(3-methylsulfonylcyclohexyl)methanone
CID 115786050
1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol
CID 114832697

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-ol?
The IUPAC name of 1-(2-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-ol (CID 114832922) is 1-(2-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-ol?
The canonical SMILES for 1-(2-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-ol is CC(O)(Cc1ccccc1F)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of 1-(2-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-ol?
The InChIKey is KNTNOZZZOZCRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO3S/c1-16(18,11-12-6-3-4-9-15(12)17)13-7-5-8-14(10-13)21(2,19)20/h3-4,6,9,13-14,18H,5,7-8,10-11H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-ol?
1-(2-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-ol has a molecular weight of 314.42 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-ol is sourced from PubChem (CID 114832922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).