(1R,3aR,8bS)-1-benzyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one

C18H16O2 — CID 166439445

IUPAC(1R,3aR,8bS)-1-benzyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one
SMILESO=C1O[C@@H]2Cc3ccccc3[C@@H]2[C@H]1Cc1ccccc1
InChIInChI=1S/C18H16O2/c19-18-15(10-12-6-2-1-3-7-12)17-14-9-5-4-8-13(14)11-16(17)20-18/h1-9,15-17H,10-11H2/t15-,16-,17-/m1/s1
InChIKeyNPIWSWUWHPMLPI-BRWVUGGUSA-N
MW264.32 g/mol
LogP3.11
Rot. Bonds2

About (1R,3aR,8bS)-1-benzyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one

(1R,3aR,8bS)-1-benzyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one (PubChem CID 166439445) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is (1R,3aR,8bS)-1-benzyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one.

Molecular Properties

Compound Name(1R,3aR,8bS)-1-benzyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one
PubChem CID166439445
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name(1R,3aR,8bS)-1-benzyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one
SMILESO=C1O[C@@H]2Cc3ccccc3[C@@H]2[C@H]1Cc1ccccc1
InChIInChI=1S/C18H16O2/c19-18-15(10-12-6-2-1-3-7-12)17-14-9-5-4-8-13(14)11-16(17)20-18/h1-9,15-17H,10-11H2/t15-,16-,17-/m1/s1
InChIKeyNPIWSWUWHPMLPI-BRWVUGGUSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,3aR,8bS)-1-benzyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one?
The IUPAC name of (1R,3aR,8bS)-1-benzyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one (CID 166439445) is (1R,3aR,8bS)-1-benzyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one.
What is the SMILES notation for (1R,3aR,8bS)-1-benzyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one?
The canonical SMILES for (1R,3aR,8bS)-1-benzyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one is O=C1O[C@@H]2Cc3ccccc3[C@@H]2[C@H]1Cc1ccccc1.
What is the InChIKey of (1R,3aR,8bS)-1-benzyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one?
The InChIKey is NPIWSWUWHPMLPI-BRWVUGGUSA-N. The full InChI is InChI=1S/C18H16O2/c19-18-15(10-12-6-2-1-3-7-12)17-14-9-5-4-8-13(14)11-16(17)20-18/h1-9,15-17H,10-11H2/t15-,16-,17-/m1/s1.
What are the key properties of (1R,3aR,8bS)-1-benzyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one?
(1R,3aR,8bS)-1-benzyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one has a molecular weight of 264.32 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3aR,8bS)-1-benzyl-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-2-one is sourced from PubChem (CID 166439445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).