2-(2-cyclohexyl-2-oxoethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one

C16H22O3 — CID 101224910

IUPAC2-(2-cyclohexyl-2-oxoethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
SMILESO=C1CCCC2=C1CC(CC(=O)C1CCCCC1)O2
InChIInChI=1S/C16H22O3/c17-14-7-4-8-16-13(14)9-12(19-16)10-15(18)11-5-2-1-3-6-11/h11-12H,1-10H2
InChIKeyQLVNXDVGDGOJOA-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.32
Rot. Bonds3

About 2-(2-cyclohexyl-2-oxoethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one

2-(2-cyclohexyl-2-oxoethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one (PubChem CID 101224910) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(2-cyclohexyl-2-oxoethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one.

Molecular Properties

Compound Name2-(2-cyclohexyl-2-oxoethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
PubChem CID101224910
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-(2-cyclohexyl-2-oxoethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
SMILESO=C1CCCC2=C1CC(CC(=O)C1CCCCC1)O2
InChIInChI=1S/C16H22O3/c17-14-7-4-8-16-13(14)9-12(19-16)10-15(18)11-5-2-1-3-6-11/h11-12H,1-10H2
InChIKeyQLVNXDVGDGOJOA-UHFFFAOYSA-N
XLogP3.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-cyclohexyl-2-oxoethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one with MolForge

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Related Compounds

3,3-Dimethyl-2,4,5a,6,7,8,9,9a-octahydrodibenzofuran-1-one
CID 2732728
(5aS,8R,9aS)-8-prop-2-enyl-2,3,4,5a,6,8,9,9a-octahydrodibenzofuran-1,7-dione
CID 164684075
(+)-Membrenone C
CID 11500929
(-)-Membrenone C
CID 11484425
1-[(3aS,7aS)-2-methyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran-3-yl]ethanone
CID 135080509
Benzofuran-6-ol-4-one, 2,3,4,5,6,7-hexahydro-3-undecyl-
CID 593044
7-acetyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
CID 11008523
6-ethyl-2-[1-[(2R,3R)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]ethyl]-3,5-dimethyl-2,3-dihydropyran-4-one
CID 22832795
(5aS,9aS)-2,3,4,5a,6,8,9,9a-octahydrodibenzofuran-1,7-dione
CID 132521066
ethyl 6-methyl-4-oxo-3,5,6,7-tetrahydro-2H-1-benzofuran-3-carboxylate
CID 12988208
3,4,5a,6,7,8,9,9a-octahydrodibenzo[b,d]furan-1(2H)-one
CID 15473347
Methyl 1-oxo-1,2,3,4,5a,6,7,8,9,9a-decahydrodibenzo[b,d]furan-2-carboxylate
CID 68801861

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-2-oxoethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
The IUPAC name of 2-(2-cyclohexyl-2-oxoethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one (CID 101224910) is 2-(2-cyclohexyl-2-oxoethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one.
What is the SMILES notation for 2-(2-cyclohexyl-2-oxoethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
The canonical SMILES for 2-(2-cyclohexyl-2-oxoethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one is O=C1CCCC2=C1CC(CC(=O)C1CCCCC1)O2.
What is the InChIKey of 2-(2-cyclohexyl-2-oxoethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
The InChIKey is QLVNXDVGDGOJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c17-14-7-4-8-16-13(14)9-12(19-16)10-15(18)11-5-2-1-3-6-11/h11-12H,1-10H2.
What are the key properties of 2-(2-cyclohexyl-2-oxoethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
2-(2-cyclohexyl-2-oxoethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one has a molecular weight of 262.35 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-2-oxoethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one is sourced from PubChem (CID 101224910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).