1-benzofuran-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone

C16H16O3 — CID 171945816

IUPAC1-benzofuran-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1coc2ccccc12)C1CC2CCC(C1)O2
InChIInChI=1S/C16H16O3/c17-16(10-7-11-5-6-12(8-10)19-11)14-9-18-15-4-2-1-3-13(14)15/h1-4,9-12H,5-8H2
InChIKeyBDZXDWCSDAKXPX-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.57
Rot. Bonds2

About 1-benzofuran-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone

1-benzofuran-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171945816) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-benzofuran-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171945816
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name1-benzofuran-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1coc2ccccc12)C1CC2CCC(C1)O2
InChIInChI=1S/C16H16O3/c17-16(10-7-11-5-6-12(8-10)19-11)14-9-18-15-4-2-1-3-13(14)15/h1-4,9-12H,5-8H2
InChIKeyBDZXDWCSDAKXPX-UHFFFAOYSA-N
XLogP3.57
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-azabicyclo[3.2.1]octan-3-yl(1-benzofuran-3-yl)methanone
CID 171945810
9-azabicyclo[3.3.1]nonan-3-yl(1-benzofuran-3-yl)methanone
CID 171945820
1-benzofuran-3-yl(2,3-dihydro-1H-inden-2-yl)methanone
CID 106893049
1-benzofuran-3-yl-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945822
(2-fluorophenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171950940
8-oxabicyclo[3.2.1]octan-3-yl(quinolin-4-yl)methanone
CID 171941811
(2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171944243
[2-(dimethylamino)phenyl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171946489
8-oxabicyclo[3.2.1]octan-3-yl-[2-(trifluoromethoxy)phenyl]methanone
CID 171949290
1-benzofuran-3-yl(morpholin-3-yl)methanone
CID 116919658
cyclopropyl-(5-hydroxy-1-benzofuran-3-yl)methanone
CID 760965
CID 89242212
CID 89242212

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of 1-benzofuran-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone (CID 171945816) is 1-benzofuran-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for 1-benzofuran-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for 1-benzofuran-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone is O=C(c1coc2ccccc12)C1CC2CCC(C1)O2.
What is the InChIKey of 1-benzofuran-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is BDZXDWCSDAKXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c17-16(10-7-11-5-6-12(8-10)19-11)14-9-18-15-4-2-1-3-13(14)15/h1-4,9-12H,5-8H2.
What are the key properties of 1-benzofuran-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
1-benzofuran-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 256.30 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171945816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).