1-(2,3-dihydro-1-benzofuran-5-yl)-5-(oxolan-2-yl)pentan-3-one

C17H22O3 — CID 114974276

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-5-(oxolan-2-yl)pentan-3-one
SMILESO=C(CCc1ccc2c(c1)CCO2)CCC1CCCO1
InChIInChI=1S/C17H22O3/c18-15(6-7-16-2-1-10-19-16)5-3-13-4-8-17-14(12-13)9-11-20-17/h4,8,12,16H,1-3,5-7,9-11H2
InChIKeyZGDIVIBQEVKYTM-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.08
Rot. Bonds6

About 1-(2,3-dihydro-1-benzofuran-5-yl)-5-(oxolan-2-yl)pentan-3-one

1-(2,3-dihydro-1-benzofuran-5-yl)-5-(oxolan-2-yl)pentan-3-one (PubChem CID 114974276) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-5-(oxolan-2-yl)pentan-3-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-5-(oxolan-2-yl)pentan-3-one
PubChem CID114974276
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-5-(oxolan-2-yl)pentan-3-one
SMILESO=C(CCc1ccc2c(c1)CCO2)CCC1CCCO1
InChIInChI=1S/C17H22O3/c18-15(6-7-16-2-1-10-19-16)5-3-13-4-8-17-14(12-13)9-11-20-17/h4,8,12,16H,1-3,5-7,9-11H2
InChIKeyZGDIVIBQEVKYTM-UHFFFAOYSA-N
XLogP3.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one
CID 114974294
6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one
CID 116571723
1-(4-aminopiperidin-1-yl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one
CID 116593300
4-(2,3-dihydro-1-benzofuran-5-yl)-1-piperidin-4-ylbutan-2-one
CID 116559956
5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoropentan-3-one
CID 65446247
[4-(2,3-dihydro-1-benzofuran-5-yl)-1-(oxolan-2-yl)butan-2-yl]hydrazine
CID 105198529
1-(4-aminocyclohexyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 116557379
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 171948792
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111562296
1-(cyclopenten-1-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 103447993
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-iodophenyl)propan-1-one
CID 114974271
4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 94017263

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-5-(oxolan-2-yl)pentan-3-one?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-5-(oxolan-2-yl)pentan-3-one (CID 114974276) is 1-(2,3-dihydro-1-benzofuran-5-yl)-5-(oxolan-2-yl)pentan-3-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-5-(oxolan-2-yl)pentan-3-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-5-(oxolan-2-yl)pentan-3-one is O=C(CCc1ccc2c(c1)CCO2)CCC1CCCO1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-5-(oxolan-2-yl)pentan-3-one?
The InChIKey is ZGDIVIBQEVKYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c18-15(6-7-16-2-1-10-19-16)5-3-13-4-8-17-14(12-13)9-11-20-17/h4,8,12,16H,1-3,5-7,9-11H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-5-(oxolan-2-yl)pentan-3-one?
1-(2,3-dihydro-1-benzofuran-5-yl)-5-(oxolan-2-yl)pentan-3-one has a molecular weight of 274.36 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-5-(oxolan-2-yl)pentan-3-one is sourced from PubChem (CID 114974276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).