(8-ethylsulfanyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methanol

C12H15FO2S — CID 54076676

IUPAC(8-ethylsulfanyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methanol
SMILESCCSc1cc(F)cc2c1OC(CO)CC2
InChIInChI=1S/C12H15FO2S/c1-2-16-11-6-9(13)5-8-3-4-10(7-14)15-12(8)11/h5-6,10,14H,2-4,7H2,1H3
InChIKeyMKEPERCLUBQXMO-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.62
Rot. Bonds3

About (8-ethylsulfanyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methanol

(8-ethylsulfanyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methanol (PubChem CID 54076676) has the molecular formula C12H15FO2S and a molecular weight of 242.31 g/mol. Its IUPAC name is (8-ethylsulfanyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methanol.

Molecular Properties

Compound Name(8-ethylsulfanyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methanol
PubChem CID54076676
Molecular FormulaC12H15FO2S
Molecular Weight242.31 g/mol
Exact Mass242.08
IUPAC Name(8-ethylsulfanyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methanol
SMILESCCSc1cc(F)cc2c1OC(CO)CC2
InChIInChI=1S/C12H15FO2S/c1-2-16-11-6-9(13)5-8-3-4-10(7-14)15-12(8)11/h5-6,10,14H,2-4,7H2,1H3
InChIKeyMKEPERCLUBQXMO-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8-ethylsulfanyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methanol?
The IUPAC name of (8-ethylsulfanyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methanol (CID 54076676) is (8-ethylsulfanyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methanol.
What is the SMILES notation for (8-ethylsulfanyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methanol?
The canonical SMILES for (8-ethylsulfanyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methanol is CCSc1cc(F)cc2c1OC(CO)CC2.
What is the InChIKey of (8-ethylsulfanyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methanol?
The InChIKey is MKEPERCLUBQXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2S/c1-2-16-11-6-9(13)5-8-3-4-10(7-14)15-12(8)11/h5-6,10,14H,2-4,7H2,1H3.
What are the key properties of (8-ethylsulfanyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methanol?
(8-ethylsulfanyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methanol has a molecular weight of 242.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-ethylsulfanyl-6-fluoro-3,4-dihydro-2H-chromen-2-yl)methanol is sourced from PubChem (CID 54076676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).