(3-fluoro-5-methylsulfanylphenyl)methanol

C8H9FOS — CID 86048903

IUPAC(3-fluoro-5-methylsulfanylphenyl)methanol
SMILESCSc1cc(F)cc(CO)c1
InChIInChI=1S/C8H9FOS/c1-11-8-3-6(5-10)2-7(9)4-8/h2-4,10H,5H2,1H3
InChIKeyLBPWRMDOCGSWGG-UHFFFAOYSA-N
MW172.22 g/mol
LogP2.04
Rot. Bonds2

About (3-fluoro-5-methylsulfanylphenyl)methanol

(3-fluoro-5-methylsulfanylphenyl)methanol (PubChem CID 86048903) has the molecular formula C8H9FOS and a molecular weight of 172.22 g/mol. Its IUPAC name is (3-fluoro-5-methylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(3-fluoro-5-methylsulfanylphenyl)methanol
PubChem CID86048903
Molecular FormulaC8H9FOS
Molecular Weight172.22 g/mol
Exact Mass172.04
IUPAC Name(3-fluoro-5-methylsulfanylphenyl)methanol
SMILESCSc1cc(F)cc(CO)c1
InChIInChI=1S/C8H9FOS/c1-11-8-3-6(5-10)2-7(9)4-8/h2-4,10H,5H2,1H3
InChIKeyLBPWRMDOCGSWGG-UHFFFAOYSA-N
XLogP2.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methylsulfanylphenyl)methanol?
The IUPAC name of (3-fluoro-5-methylsulfanylphenyl)methanol (CID 86048903) is (3-fluoro-5-methylsulfanylphenyl)methanol.
What is the SMILES notation for (3-fluoro-5-methylsulfanylphenyl)methanol?
The canonical SMILES for (3-fluoro-5-methylsulfanylphenyl)methanol is CSc1cc(F)cc(CO)c1.
What is the InChIKey of (3-fluoro-5-methylsulfanylphenyl)methanol?
The InChIKey is LBPWRMDOCGSWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FOS/c1-11-8-3-6(5-10)2-7(9)4-8/h2-4,10H,5H2,1H3.
What are the key properties of (3-fluoro-5-methylsulfanylphenyl)methanol?
(3-fluoro-5-methylsulfanylphenyl)methanol has a molecular weight of 172.22 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-methylsulfanylphenyl)methanol is sourced from PubChem (CID 86048903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).