3-fluoro-6-methylsulfanyl-2-propan-2-ylphenol

C10H13FOS — CID 164811561

IUPAC3-fluoro-6-methylsulfanyl-2-propan-2-ylphenol
SMILESCSc1ccc(F)c(C(C)C)c1O
InChIInChI=1S/C10H13FOS/c1-6(2)9-7(11)4-5-8(13-3)10(9)12/h4-6,12H,1-3H3
InChIKeyXQSGLCHWJNFNIU-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.38
Rot. Bonds2

About 3-fluoro-6-methylsulfanyl-2-propan-2-ylphenol

3-fluoro-6-methylsulfanyl-2-propan-2-ylphenol (PubChem CID 164811561) has the molecular formula C10H13FOS and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-fluoro-6-methylsulfanyl-2-propan-2-ylphenol.

Molecular Properties

Compound Name3-fluoro-6-methylsulfanyl-2-propan-2-ylphenol
PubChem CID164811561
Molecular FormulaC10H13FOS
Molecular Weight200.28 g/mol
Exact Mass200.07
IUPAC Name3-fluoro-6-methylsulfanyl-2-propan-2-ylphenol
SMILESCSc1ccc(F)c(C(C)C)c1O
InChIInChI=1S/C10H13FOS/c1-6(2)9-7(11)4-5-8(13-3)10(9)12/h4-6,12H,1-3H3
InChIKeyXQSGLCHWJNFNIU-UHFFFAOYSA-N
XLogP3.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-6-methylsulfanyl-2-propan-2-ylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-methylsulfanyl-2-propan-2-ylphenol?
The IUPAC name of 3-fluoro-6-methylsulfanyl-2-propan-2-ylphenol (CID 164811561) is 3-fluoro-6-methylsulfanyl-2-propan-2-ylphenol.
What is the SMILES notation for 3-fluoro-6-methylsulfanyl-2-propan-2-ylphenol?
The canonical SMILES for 3-fluoro-6-methylsulfanyl-2-propan-2-ylphenol is CSc1ccc(F)c(C(C)C)c1O.
What is the InChIKey of 3-fluoro-6-methylsulfanyl-2-propan-2-ylphenol?
The InChIKey is XQSGLCHWJNFNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FOS/c1-6(2)9-7(11)4-5-8(13-3)10(9)12/h4-6,12H,1-3H3.
What are the key properties of 3-fluoro-6-methylsulfanyl-2-propan-2-ylphenol?
3-fluoro-6-methylsulfanyl-2-propan-2-ylphenol has a molecular weight of 200.28 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-methylsulfanyl-2-propan-2-ylphenol is sourced from PubChem (CID 164811561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).