1-[1-(2-fluorophenyl)ethylsulfonylmethyl]-4-methylcyclohexan-1-ol

C16H23FO3S — CID 75497573

IUPAC1-[1-(2-fluorophenyl)ethylsulfonylmethyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CS(=O)(=O)C(C)c2ccccc2F)CC1
InChIInChI=1S/C16H23FO3S/c1-12-7-9-16(18,10-8-12)11-21(19,20)13(2)14-5-3-4-6-15(14)17/h3-6,12-13,18H,7-11H2,1-2H3
InChIKeyBORKOFWYRAQMRU-UHFFFAOYSA-N
MW314.42 g/mol
LogP3.24
Rot. Bonds4

About 1-[1-(2-fluorophenyl)ethylsulfonylmethyl]-4-methylcyclohexan-1-ol

1-[1-(2-fluorophenyl)ethylsulfonylmethyl]-4-methylcyclohexan-1-ol (PubChem CID 75497573) has the molecular formula C16H23FO3S and a molecular weight of 314.42 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)ethylsulfonylmethyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)ethylsulfonylmethyl]-4-methylcyclohexan-1-ol
PubChem CID75497573
Molecular FormulaC16H23FO3S
Molecular Weight314.42 g/mol
Exact Mass314.14
IUPAC Name1-[1-(2-fluorophenyl)ethylsulfonylmethyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CS(=O)(=O)C(C)c2ccccc2F)CC1
InChIInChI=1S/C16H23FO3S/c1-12-7-9-16(18,10-8-12)11-21(19,20)13(2)14-5-3-4-6-15(14)17/h3-6,12-13,18H,7-11H2,1-2H3
InChIKeyBORKOFWYRAQMRU-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)ethylsulfonylmethyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[1-(2-fluorophenyl)ethylsulfonylmethyl]-4-methylcyclohexan-1-ol (CID 75497573) is 1-[1-(2-fluorophenyl)ethylsulfonylmethyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[1-(2-fluorophenyl)ethylsulfonylmethyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[1-(2-fluorophenyl)ethylsulfonylmethyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CS(=O)(=O)C(C)c2ccccc2F)CC1.
What is the InChIKey of 1-[1-(2-fluorophenyl)ethylsulfonylmethyl]-4-methylcyclohexan-1-ol?
The InChIKey is BORKOFWYRAQMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO3S/c1-12-7-9-16(18,10-8-12)11-21(19,20)13(2)14-5-3-4-6-15(14)17/h3-6,12-13,18H,7-11H2,1-2H3.
What are the key properties of 1-[1-(2-fluorophenyl)ethylsulfonylmethyl]-4-methylcyclohexan-1-ol?
1-[1-(2-fluorophenyl)ethylsulfonylmethyl]-4-methylcyclohexan-1-ol has a molecular weight of 314.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)ethylsulfonylmethyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 75497573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).