(6S)-6-ethyl-6H-furo[3,4-g][1]benzofuran-8-one

C12H10O3 — CID 58918079

IUPAC(6S)-6-ethyl-6H-furo[3,4-g][1]benzofuran-8-one
SMILESCC[C@@H]1OC(=O)c2c1ccc1ccoc21
InChIInChI=1S/C12H10O3/c1-2-9-8-4-3-7-5-6-14-11(7)10(8)12(13)15-9/h3-6,9H,2H2,1H3/t9-/m0/s1
InChIKeyNPJOJMUVGGLVJT-VIFPVBQESA-N
MW202.21 g/mol
LogP3.05
Rot. Bonds1

About (6S)-6-ethyl-6H-furo[3,4-g][1]benzofuran-8-one

(6S)-6-ethyl-6H-furo[3,4-g][1]benzofuran-8-one (PubChem CID 58918079) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is (6S)-6-ethyl-6H-furo[3,4-g][1]benzofuran-8-one.

Molecular Properties

Compound Name(6S)-6-ethyl-6H-furo[3,4-g][1]benzofuran-8-one
PubChem CID58918079
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name(6S)-6-ethyl-6H-furo[3,4-g][1]benzofuran-8-one
SMILESCC[C@@H]1OC(=O)c2c1ccc1ccoc21
InChIInChI=1S/C12H10O3/c1-2-9-8-4-3-7-5-6-14-11(7)10(8)12(13)15-9/h3-6,9H,2H2,1H3/t9-/m0/s1
InChIKeyNPJOJMUVGGLVJT-VIFPVBQESA-N
XLogP3.05
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-ethyl-6H-furo[3,4-g][1]benzofuran-8-one?
The IUPAC name of (6S)-6-ethyl-6H-furo[3,4-g][1]benzofuran-8-one (CID 58918079) is (6S)-6-ethyl-6H-furo[3,4-g][1]benzofuran-8-one.
What is the SMILES notation for (6S)-6-ethyl-6H-furo[3,4-g][1]benzofuran-8-one?
The canonical SMILES for (6S)-6-ethyl-6H-furo[3,4-g][1]benzofuran-8-one is CC[C@@H]1OC(=O)c2c1ccc1ccoc21.
What is the InChIKey of (6S)-6-ethyl-6H-furo[3,4-g][1]benzofuran-8-one?
The InChIKey is NPJOJMUVGGLVJT-VIFPVBQESA-N. The full InChI is InChI=1S/C12H10O3/c1-2-9-8-4-3-7-5-6-14-11(7)10(8)12(13)15-9/h3-6,9H,2H2,1H3/t9-/m0/s1.
What are the key properties of (6S)-6-ethyl-6H-furo[3,4-g][1]benzofuran-8-one?
(6S)-6-ethyl-6H-furo[3,4-g][1]benzofuran-8-one has a molecular weight of 202.21 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-ethyl-6H-furo[3,4-g][1]benzofuran-8-one is sourced from PubChem (CID 58918079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).