(2-bromo-4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanol

C14H18BrFO3S — CID 115822082

IUPAC(2-bromo-4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanol
SMILESCS(=O)(=O)C1CCCC(C(O)c2ccc(F)cc2Br)C1
InChIInChI=1S/C14H18BrFO3S/c1-20(18,19)11-4-2-3-9(7-11)14(17)12-6-5-10(16)8-13(12)15/h5-6,8-9,11,14,17H,2-4,7H2,1H3
InChIKeyXYQGKHBONXOGJR-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.22
Rot. Bonds3

About (2-bromo-4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanol

(2-bromo-4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanol (PubChem CID 115822082) has the molecular formula C14H18BrFO3S and a molecular weight of 365.26 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanol.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanol
PubChem CID115822082
Molecular FormulaC14H18BrFO3S
Molecular Weight365.26 g/mol
Exact Mass364.01
IUPAC Name(2-bromo-4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanol
SMILESCS(=O)(=O)C1CCCC(C(O)c2ccc(F)cc2Br)C1
InChIInChI=1S/C14H18BrFO3S/c1-20(18,19)11-4-2-3-9(7-11)14(17)12-6-5-10(16)8-13(12)15/h5-6,8-9,11,14,17H,2-4,7H2,1H3
InChIKeyXYQGKHBONXOGJR-UHFFFAOYSA-N
XLogP3.22
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2-methylphenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 115822026
(2-bromo-4-fluorophenyl)-cyclohexylmethanol
CID 91636325
(3-bromo-2-methylphenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 115822100
(2-amino-5-bromophenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 82703710
1-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014165
(4-bromo-3,5-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 114329804
(4-bromo-5-chlorothiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanol
CID 102830337
[(5-bromo-2-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105280693
(2,5-dichlorothiophen-3-yl)-(3-methylsulfonylcyclohexyl)methanol
CID 107969794
(2-bromo-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 105014355
(2,6-dimethyl-4-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol
CID 107502764
cyclobutyl-(4-fluoro-2-methylphenyl)methanol
CID 64987002

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanol?
The IUPAC name of (2-bromo-4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanol (CID 115822082) is (2-bromo-4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanol.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanol?
The canonical SMILES for (2-bromo-4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanol is CS(=O)(=O)C1CCCC(C(O)c2ccc(F)cc2Br)C1.
What is the InChIKey of (2-bromo-4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanol?
The InChIKey is XYQGKHBONXOGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFO3S/c1-20(18,19)11-4-2-3-9(7-11)14(17)12-6-5-10(16)8-13(12)15/h5-6,8-9,11,14,17H,2-4,7H2,1H3.
What are the key properties of (2-bromo-4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanol?
(2-bromo-4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanol has a molecular weight of 365.26 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanol is sourced from PubChem (CID 115822082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).