6-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-ol

C12H15FO2S — CID 114714035

IUPAC6-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCSCCC1CC(O)c2cc(F)ccc2O1
InChIInChI=1S/C12H15FO2S/c1-16-5-4-9-7-11(14)10-6-8(13)2-3-12(10)15-9/h2-3,6,9,11,14H,4-5,7H2,1H3
InChIKeyLNLMRUXLNXVYFC-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.76
Rot. Bonds3

About 6-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-ol

6-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714035) has the molecular formula C12H15FO2S and a molecular weight of 242.31 g/mol. Its IUPAC name is 6-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714035
Molecular FormulaC12H15FO2S
Molecular Weight242.31 g/mol
Exact Mass242.08
IUPAC Name6-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCSCCC1CC(O)c2cc(F)ccc2O1
InChIInChI=1S/C12H15FO2S/c1-16-5-4-9-7-11(14)10-6-8(13)2-3-12(10)15-9/h2-3,6,9,11,14H,4-5,7H2,1H3
InChIKeyLNLMRUXLNXVYFC-UHFFFAOYSA-N
XLogP2.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-ol (CID 114714035) is 6-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-ol is CSCCC1CC(O)c2cc(F)ccc2O1.
What is the InChIKey of 6-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is LNLMRUXLNXVYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2S/c1-16-5-4-9-7-11(14)10-6-8(13)2-3-12(10)15-9/h2-3,6,9,11,14H,4-5,7H2,1H3.
What are the key properties of 6-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-ol?
6-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 242.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).