1-[8-(1-hydroxyethyl)phenoxathiin-2-yl]ethanol

C16H16O3S — CID 515188

IUPAC1-[8-(1-hydroxyethyl)phenoxathiin-2-yl]ethanol
SMILESCC(O)c1ccc2c(c1)Sc1cc(C(C)O)ccc1O2
InChIInChI=1S/C16H16O3S/c1-9(17)11-3-5-13-15(7-11)20-16-8-12(10(2)18)4-6-14(16)19-13/h3-10,17-18H,1-2H3
InChIKeyFVOJZBOJFOADOF-UHFFFAOYSA-N
MW288.37 g/mol
LogP4.05
Rot. Bonds2

About 1-[8-(1-hydroxyethyl)phenoxathiin-2-yl]ethanol

1-[8-(1-hydroxyethyl)phenoxathiin-2-yl]ethanol (PubChem CID 515188) has the molecular formula C16H16O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-[8-(1-hydroxyethyl)phenoxathiin-2-yl]ethanol.

Molecular Properties

Compound Name1-[8-(1-hydroxyethyl)phenoxathiin-2-yl]ethanol
PubChem CID515188
Molecular FormulaC16H16O3S
Molecular Weight288.37 g/mol
Exact Mass288.08
IUPAC Name1-[8-(1-hydroxyethyl)phenoxathiin-2-yl]ethanol
SMILESCC(O)c1ccc2c(c1)Sc1cc(C(C)O)ccc1O2
InChIInChI=1S/C16H16O3S/c1-9(17)11-3-5-13-15(7-11)20-16-8-12(10(2)18)4-6-14(16)19-13/h3-10,17-18H,1-2H3
InChIKeyFVOJZBOJFOADOF-UHFFFAOYSA-N
XLogP4.05
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(1-hydroxyethyl)phenoxathiin-2-yl]ethanol?
The IUPAC name of 1-[8-(1-hydroxyethyl)phenoxathiin-2-yl]ethanol (CID 515188) is 1-[8-(1-hydroxyethyl)phenoxathiin-2-yl]ethanol.
What is the SMILES notation for 1-[8-(1-hydroxyethyl)phenoxathiin-2-yl]ethanol?
The canonical SMILES for 1-[8-(1-hydroxyethyl)phenoxathiin-2-yl]ethanol is CC(O)c1ccc2c(c1)Sc1cc(C(C)O)ccc1O2.
What is the InChIKey of 1-[8-(1-hydroxyethyl)phenoxathiin-2-yl]ethanol?
The InChIKey is FVOJZBOJFOADOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3S/c1-9(17)11-3-5-13-15(7-11)20-16-8-12(10(2)18)4-6-14(16)19-13/h3-10,17-18H,1-2H3.
What are the key properties of 1-[8-(1-hydroxyethyl)phenoxathiin-2-yl]ethanol?
1-[8-(1-hydroxyethyl)phenoxathiin-2-yl]ethanol has a molecular weight of 288.37 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(1-hydroxyethyl)phenoxathiin-2-yl]ethanol is sourced from PubChem (CID 515188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).