1-(2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-3-yl)ethanone

C14H16O3 — CID 114744367

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-3-yl)ethanone
SMILESO=C(CC1CCOC1)c1cccc2c1OCC2
InChIInChI=1S/C14H16O3/c15-13(8-10-4-6-16-9-10)12-3-1-2-11-5-7-17-14(11)12/h1-3,10H,4-9H2
InChIKeyDAFYKJMSIAICAT-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.23
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-3-yl)ethanone

1-(2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-3-yl)ethanone (PubChem CID 114744367) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-3-yl)ethanone
PubChem CID114744367
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-3-yl)ethanone
SMILESO=C(CC1CCOC1)c1cccc2c1OCC2
InChIInChI=1S/C14H16O3/c15-13(8-10-4-6-16-9-10)12-3-1-2-11-5-7-17-14(11)12/h1-3,10H,4-9H2
InChIKeyDAFYKJMSIAICAT-UHFFFAOYSA-N
XLogP2.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 25002538
1-(2,3-dimethylphenyl)-2-(oxolan-3-yl)ethanone
CID 103986180
2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 114747936
2-[1-(aminomethyl)cyclobutyl]-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 114748033
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone
CID 114744072
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(ethylamino)ethanone
CID 114747824
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone
CID 96750554
1-(2,3-dihydro-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-one
CID 114744273
2-(oxolan-3-yl)-1-phenylethanone
CID 71757170
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylsulfanylethanone
CID 114744136
1-(2,3-dihydro-1-benzofuran-7-yl)-3-(4-methylphenyl)propan-1-one
CID 105135090

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-3-yl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-3-yl)ethanone (CID 114744367) is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-3-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-3-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-3-yl)ethanone is O=C(CC1CCOC1)c1cccc2c1OCC2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-3-yl)ethanone?
The InChIKey is DAFYKJMSIAICAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c15-13(8-10-4-6-16-9-10)12-3-1-2-11-5-7-17-14(11)12/h1-3,10H,4-9H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-3-yl)ethanone?
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-3-yl)ethanone has a molecular weight of 232.28 g/mol, XLogP of 2.23, 3 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-7-yl)-2-(oxolan-3-yl)ethanone is sourced from PubChem (CID 114744367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).