[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]methanol

C12H15FO2S — CID 63835816

IUPAC[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]methanol
SMILESOCc1cc(F)ccc1SC1CCOCC1
InChIInChI=1S/C12H15FO2S/c13-10-1-2-12(9(7-10)8-14)16-11-3-5-15-6-4-11/h1-2,7,11,14H,3-6,8H2
InChIKeyCTRCAELKODGTFG-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.59
Rot. Bonds3

About [5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]methanol

[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]methanol (PubChem CID 63835816) has the molecular formula C12H15FO2S and a molecular weight of 242.31 g/mol. Its IUPAC name is [5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]methanol.

Molecular Properties

Compound Name[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]methanol
PubChem CID63835816
Molecular FormulaC12H15FO2S
Molecular Weight242.31 g/mol
Exact Mass242.08
IUPAC Name[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]methanol
SMILESOCc1cc(F)ccc1SC1CCOCC1
InChIInChI=1S/C12H15FO2S/c13-10-1-2-12(9(7-10)8-14)16-11-3-5-15-6-4-11/h1-2,7,11,14H,3-6,8H2
InChIKeyCTRCAELKODGTFG-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]methanol?
The IUPAC name of [5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]methanol (CID 63835816) is [5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]methanol.
What is the SMILES notation for [5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]methanol?
The canonical SMILES for [5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]methanol is OCc1cc(F)ccc1SC1CCOCC1.
What is the InChIKey of [5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]methanol?
The InChIKey is CTRCAELKODGTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2S/c13-10-1-2-12(9(7-10)8-14)16-11-3-5-15-6-4-11/h1-2,7,11,14H,3-6,8H2.
What are the key properties of [5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]methanol?
[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]methanol has a molecular weight of 242.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]methanol is sourced from PubChem (CID 63835816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).