1-(2-acetyl-1-benzofuran-3-yl)ethanone

C12H10O3 — CID 11637030

IUPAC1-(2-acetyl-1-benzofuran-3-yl)ethanone
SMILESCC(=O)c1oc2ccccc2c1C(C)=O
InChIInChI=1S/C12H10O3/c1-7(13)11-9-5-3-4-6-10(9)15-12(11)8(2)14/h3-6H,1-2H3
InChIKeyNYCSJCLWCOUVPK-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.84
Rot. Bonds2

About 1-(2-acetyl-1-benzofuran-3-yl)ethanone

1-(2-acetyl-1-benzofuran-3-yl)ethanone (PubChem CID 11637030) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 1-(2-acetyl-1-benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-acetyl-1-benzofuran-3-yl)ethanone
PubChem CID11637030
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name1-(2-acetyl-1-benzofuran-3-yl)ethanone
SMILESCC(=O)c1oc2ccccc2c1C(C)=O
InChIInChI=1S/C12H10O3/c1-7(13)11-9-5-3-4-6-10(9)15-12(11)8(2)14/h3-6H,1-2H3
InChIKeyNYCSJCLWCOUVPK-UHFFFAOYSA-N
XLogP2.84
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-benzyl-1-benzofuran-3-yl)ethanone
CID 13024727
3-acetyl-4-phenylchromen-2-one
CID 56965161
3-(2-carboxy-1-benzofuran-3-yl)-1-benzofuran-2-carboxylic acid
CID 164666500
3-acetyl-2-aminochromen-4-one
CID 23195665
1-(10-acetylanthracen-9-yl)ethanone
CID 12739255
3-acetyl-4-benzylchromen-2-one
CID 100994271
2-carboxy-1-benzofuran-3-olate
CID 54715094
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591
2-acetyl-6-methyl-1-benzofuran-3-carboxylic acid
CID 59788921
1-dibenzofuran-4-ylethanone
CID 15691981
1-(4-acetyl-2,3-dihydroxynaphthalen-1-yl)ethanone
CID 57373259
3-methyl-4-oxochromene-2-carboxylic acid
CID 14958195

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-1-benzofuran-3-yl)ethanone?
The IUPAC name of 1-(2-acetyl-1-benzofuran-3-yl)ethanone (CID 11637030) is 1-(2-acetyl-1-benzofuran-3-yl)ethanone.
What is the SMILES notation for 1-(2-acetyl-1-benzofuran-3-yl)ethanone?
The canonical SMILES for 1-(2-acetyl-1-benzofuran-3-yl)ethanone is CC(=O)c1oc2ccccc2c1C(C)=O.
What is the InChIKey of 1-(2-acetyl-1-benzofuran-3-yl)ethanone?
The InChIKey is NYCSJCLWCOUVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-7(13)11-9-5-3-4-6-10(9)15-12(11)8(2)14/h3-6H,1-2H3.
What are the key properties of 1-(2-acetyl-1-benzofuran-3-yl)ethanone?
1-(2-acetyl-1-benzofuran-3-yl)ethanone has a molecular weight of 202.21 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyl-1-benzofuran-3-yl)ethanone is sourced from PubChem (CID 11637030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).