1-[3-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol

C15H21FOS — CID 114059535

IUPAC1-[3-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol
SMILESCC1CCCC(Sc2c(F)cccc2C(C)O)C1
InChIInChI=1S/C15H21FOS/c1-10-5-3-6-12(9-10)18-15-13(11(2)17)7-4-8-14(15)16/h4,7-8,10-12,17H,3,5-6,9H2,1-2H3
InChIKeyCSJNMOISRQIYEJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.55
Rot. Bonds3

About 1-[3-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol

1-[3-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol (PubChem CID 114059535) has the molecular formula C15H21FOS and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[3-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name1-[3-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol
PubChem CID114059535
Molecular FormulaC15H21FOS
Molecular Weight268.40 g/mol
Exact Mass268.13
IUPAC Name1-[3-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol
SMILESCC1CCCC(Sc2c(F)cccc2C(C)O)C1
InChIInChI=1S/C15H21FOS/c1-10-5-3-6-12(9-10)18-15-13(11(2)17)7-4-8-14(15)16/h4,7-8,10-12,17H,3,5-6,9H2,1-2H3
InChIKeyCSJNMOISRQIYEJ-UHFFFAOYSA-N
XLogP4.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol?
The IUPAC name of 1-[3-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol (CID 114059535) is 1-[3-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol.
What is the SMILES notation for 1-[3-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol?
The canonical SMILES for 1-[3-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol is CC1CCCC(Sc2c(F)cccc2C(C)O)C1.
What is the InChIKey of 1-[3-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol?
The InChIKey is CSJNMOISRQIYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FOS/c1-10-5-3-6-12(9-10)18-15-13(11(2)17)7-4-8-14(15)16/h4,7-8,10-12,17H,3,5-6,9H2,1-2H3.
What are the key properties of 1-[3-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol?
1-[3-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol has a molecular weight of 268.40 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol is sourced from PubChem (CID 114059535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).