(2R,3S,6R)-6-ethyl-3-hydroxy-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-furo[3,4-g][1]benzofuran-8-one

C15H18O5 — CID 24854346

IUPAC(2R,3S,6R)-6-ethyl-3-hydroxy-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-furo[3,4-g][1]benzofuran-8-one
SMILESCC[C@H]1OC(=O)c2c1ccc1c2O[C@@H](C(C)(C)O)[C@H]1O
InChIInChI=1S/C15H18O5/c1-4-9-7-5-6-8-11(16)13(15(2,3)18)20-12(8)10(7)14(17)19-9/h5-6,9,11,13,16,18H,4H2,1-3H3/t9-,11+,13-/m1/s1
InChIKeyZJXXJTICUDDUSG-SUZMYJTESA-N
MW278.30 g/mol
LogP1.87
Rot. Bonds2

About (2R,3S,6R)-6-ethyl-3-hydroxy-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-furo[3,4-g][1]benzofuran-8-one

(2R,3S,6R)-6-ethyl-3-hydroxy-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-furo[3,4-g][1]benzofuran-8-one (PubChem CID 24854346) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is (2R,3S,6R)-6-ethyl-3-hydroxy-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-furo[3,4-g][1]benzofuran-8-one.

Molecular Properties

Compound Name(2R,3S,6R)-6-ethyl-3-hydroxy-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-furo[3,4-g][1]benzofuran-8-one
PubChem CID24854346
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name(2R,3S,6R)-6-ethyl-3-hydroxy-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-furo[3,4-g][1]benzofuran-8-one
SMILESCC[C@H]1OC(=O)c2c1ccc1c2O[C@@H](C(C)(C)O)[C@H]1O
InChIInChI=1S/C15H18O5/c1-4-9-7-5-6-8-11(16)13(15(2,3)18)20-12(8)10(7)14(17)19-9/h5-6,9,11,13,16,18H,4H2,1-3H3/t9-,11+,13-/m1/s1
InChIKeyZJXXJTICUDDUSG-SUZMYJTESA-N
XLogP1.87
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,6R)-6-ethyl-3-hydroxy-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-furo[3,4-g][1]benzofuran-8-one?
The IUPAC name of (2R,3S,6R)-6-ethyl-3-hydroxy-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-furo[3,4-g][1]benzofuran-8-one (CID 24854346) is (2R,3S,6R)-6-ethyl-3-hydroxy-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-furo[3,4-g][1]benzofuran-8-one.
What is the SMILES notation for (2R,3S,6R)-6-ethyl-3-hydroxy-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-furo[3,4-g][1]benzofuran-8-one?
The canonical SMILES for (2R,3S,6R)-6-ethyl-3-hydroxy-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-furo[3,4-g][1]benzofuran-8-one is CC[C@H]1OC(=O)c2c1ccc1c2O[C@@H](C(C)(C)O)[C@H]1O.
What is the InChIKey of (2R,3S,6R)-6-ethyl-3-hydroxy-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-furo[3,4-g][1]benzofuran-8-one?
The InChIKey is ZJXXJTICUDDUSG-SUZMYJTESA-N. The full InChI is InChI=1S/C15H18O5/c1-4-9-7-5-6-8-11(16)13(15(2,3)18)20-12(8)10(7)14(17)19-9/h5-6,9,11,13,16,18H,4H2,1-3H3/t9-,11+,13-/m1/s1.
What are the key properties of (2R,3S,6R)-6-ethyl-3-hydroxy-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-furo[3,4-g][1]benzofuran-8-one?
(2R,3S,6R)-6-ethyl-3-hydroxy-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-furo[3,4-g][1]benzofuran-8-one has a molecular weight of 278.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6R)-6-ethyl-3-hydroxy-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-furo[3,4-g][1]benzofuran-8-one is sourced from PubChem (CID 24854346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).