(2-fluoro-3-methylsulfanylphenyl)methanol

C8H9FOS — CID 83410186

IUPAC(2-fluoro-3-methylsulfanylphenyl)methanol
SMILESCSc1cccc(CO)c1F
InChIInChI=1S/C8H9FOS/c1-11-7-4-2-3-6(5-10)8(7)9/h2-4,10H,5H2,1H3
InChIKeyVANRDCUCGKBALN-UHFFFAOYSA-N
MW172.22 g/mol
LogP2.04
Rot. Bonds2

About (2-fluoro-3-methylsulfanylphenyl)methanol

(2-fluoro-3-methylsulfanylphenyl)methanol (PubChem CID 83410186) has the molecular formula C8H9FOS and a molecular weight of 172.22 g/mol. Its IUPAC name is (2-fluoro-3-methylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(2-fluoro-3-methylsulfanylphenyl)methanol
PubChem CID83410186
Molecular FormulaC8H9FOS
Molecular Weight172.22 g/mol
Exact Mass172.04
IUPAC Name(2-fluoro-3-methylsulfanylphenyl)methanol
SMILESCSc1cccc(CO)c1F
InChIInChI=1S/C8H9FOS/c1-11-7-4-2-3-6(5-10)8(7)9/h2-4,10H,5H2,1H3
InChIKeyVANRDCUCGKBALN-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 (2-fluoro-3-methylsulfanylphenyl)methanol?
The IUPAC name of (2-fluoro-3-methylsulfanylphenyl)methanol (CID 83410186) is (2-fluoro-3-methylsulfanylphenyl)methanol.
What is the SMILES notation for (2-fluoro-3-methylsulfanylphenyl)methanol?
The canonical SMILES for (2-fluoro-3-methylsulfanylphenyl)methanol is CSc1cccc(CO)c1F.
What is the InChIKey of (2-fluoro-3-methylsulfanylphenyl)methanol?
The InChIKey is VANRDCUCGKBALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FOS/c1-11-7-4-2-3-6(5-10)8(7)9/h2-4,10H,5H2,1H3.
What are the key properties of (2-fluoro-3-methylsulfanylphenyl)methanol?
(2-fluoro-3-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 (2-fluoro-3-methylsulfanylphenyl)methanol is sourced from PubChem (CID 83410186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).