1-(1,3-dihydro-2-benzofuran-5-yl)ethanone

C10H10O2 — CID 15834337

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C10H10O2/c1-7(11)8-2-3-9-5-12-6-10(9)4-8/h2-4H,5-6H2,1H3
InChIKeyBWYLJWWBDQIWPZ-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.92
Rot. Bonds1

About 1-(1,3-dihydro-2-benzofuran-5-yl)ethanone

1-(1,3-dihydro-2-benzofuran-5-yl)ethanone (PubChem CID 15834337) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)ethanone.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
PubChem CID15834337
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C10H10O2/c1-7(11)8-2-3-9-5-12-6-10(9)4-8/h2-4H,5-6H2,1H3
InChIKeyBWYLJWWBDQIWPZ-UHFFFAOYSA-N
XLogP1.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)ethanone?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)ethanone (CID 15834337) is 1-(1,3-dihydro-2-benzofuran-5-yl)ethanone.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)ethanone?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)ethanone is CC(=O)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)ethanone?
The InChIKey is BWYLJWWBDQIWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-7(11)8-2-3-9-5-12-6-10(9)4-8/h2-4H,5-6H2,1H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)ethanone?
1-(1,3-dihydro-2-benzofuran-5-yl)ethanone has a molecular weight of 162.19 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)ethanone is sourced from PubChem (CID 15834337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).