(4bR,9bS)-4b,6,7,8,9b,10-hexahydroindeno[1,2-b][1]benzofuran-9-one

C15H14O2 — CID 15527247

IUPAC(4bR,9bS)-4b,6,7,8,9b,10-hexahydroindeno[1,2-b][1]benzofuran-9-one
SMILESO=C1CCCC2=C1[C@@H]1Cc3ccccc3[C@@H]1O2
InChIInChI=1S/C15H14O2/c16-12-6-3-7-13-14(12)11-8-9-4-1-2-5-10(9)15(11)17-13/h1-2,4-5,11,15H,3,6-8H2/t11-,15-/m0/s1
InChIKeyRODVBDXNYFINNP-NHYWBVRUSA-N
MW226.27 g/mol
LogP2.94
Rot. Bonds

About (4bR,9bS)-4b,6,7,8,9b,10-hexahydroindeno[1,2-b][1]benzofuran-9-one

(4bR,9bS)-4b,6,7,8,9b,10-hexahydroindeno[1,2-b][1]benzofuran-9-one (PubChem CID 15527247) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is (4bR,9bS)-4b,6,7,8,9b,10-hexahydroindeno[1,2-b][1]benzofuran-9-one.

Molecular Properties

Compound Name(4bR,9bS)-4b,6,7,8,9b,10-hexahydroindeno[1,2-b][1]benzofuran-9-one
PubChem CID15527247
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name(4bR,9bS)-4b,6,7,8,9b,10-hexahydroindeno[1,2-b][1]benzofuran-9-one
SMILESO=C1CCCC2=C1[C@@H]1Cc3ccccc3[C@@H]1O2
InChIInChI=1S/C15H14O2/c16-12-6-3-7-13-14(12)11-8-9-4-1-2-5-10(9)15(11)17-13/h1-2,4-5,11,15H,3,6-8H2/t11-,15-/m0/s1
InChIKeyRODVBDXNYFINNP-NHYWBVRUSA-N
XLogP2.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4bR,9bS)-4b,6,7,8,9b,10-hexahydroindeno[1,2-b][1]benzofuran-9-one?
The IUPAC name of (4bR,9bS)-4b,6,7,8,9b,10-hexahydroindeno[1,2-b][1]benzofuran-9-one (CID 15527247) is (4bR,9bS)-4b,6,7,8,9b,10-hexahydroindeno[1,2-b][1]benzofuran-9-one.
What is the SMILES notation for (4bR,9bS)-4b,6,7,8,9b,10-hexahydroindeno[1,2-b][1]benzofuran-9-one?
The canonical SMILES for (4bR,9bS)-4b,6,7,8,9b,10-hexahydroindeno[1,2-b][1]benzofuran-9-one is O=C1CCCC2=C1[C@@H]1Cc3ccccc3[C@@H]1O2.
What is the InChIKey of (4bR,9bS)-4b,6,7,8,9b,10-hexahydroindeno[1,2-b][1]benzofuran-9-one?
The InChIKey is RODVBDXNYFINNP-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H14O2/c16-12-6-3-7-13-14(12)11-8-9-4-1-2-5-10(9)15(11)17-13/h1-2,4-5,11,15H,3,6-8H2/t11-,15-/m0/s1.
What are the key properties of (4bR,9bS)-4b,6,7,8,9b,10-hexahydroindeno[1,2-b][1]benzofuran-9-one?
(4bR,9bS)-4b,6,7,8,9b,10-hexahydroindeno[1,2-b][1]benzofuran-9-one has a molecular weight of 226.27 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4bR,9bS)-4b,6,7,8,9b,10-hexahydroindeno[1,2-b][1]benzofuran-9-one is sourced from PubChem (CID 15527247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).