1-(5-propyl-1-benzofuran-2-yl)ethanone

C13H14O2 — CID 65428226

IUPAC1-(5-propyl-1-benzofuran-2-yl)ethanone
SMILESCCCc1ccc2oc(C(C)=O)cc2c1
InChIInChI=1S/C13H14O2/c1-3-4-10-5-6-12-11(7-10)8-13(15-12)9(2)14/h5-8H,3-4H2,1-2H3
InChIKeyJJAQSAGUPSUARY-UHFFFAOYSA-N
MW202.25 g/mol
LogP3.59
Rot. Bonds3

About 1-(5-propyl-1-benzofuran-2-yl)ethanone

1-(5-propyl-1-benzofuran-2-yl)ethanone (PubChem CID 65428226) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(5-propyl-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-propyl-1-benzofuran-2-yl)ethanone
PubChem CID65428226
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name1-(5-propyl-1-benzofuran-2-yl)ethanone
SMILESCCCc1ccc2oc(C(C)=O)cc2c1
InChIInChI=1S/C13H14O2/c1-3-4-10-5-6-12-11(7-10)8-13(15-12)9(2)14/h5-8H,3-4H2,1-2H3
InChIKeyJJAQSAGUPSUARY-UHFFFAOYSA-N
XLogP3.59
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-amino-1-benzofuran-2-yl)ethanone
CID 3783367
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
1-(1-benzofuran-2-yl)ethanone
CID 15435
1-(5-propyl-1-benzofuran-2-yl)ethanamine
CID 65439611
2-iodo-5-propyl-1-benzofuran
CID 86051258
1-[5-[(2S)-1-(ethylamino)propan-2-yl]oxy-1-benzofuran-2-yl]ethanone
CID 142327542
5-propyl-1-benzofuran-2-carbonitrile
CID 62550129
methyl 5-ethyl-1-benzofuran-2-carboxylate
CID 121014658
[2-oxo-2-(4-propylphenyl)ethyl] 1-benzofuran-2-carboxylate
CID 7210520
5-(butoxymethyl)-1-benzofuran-2-carboxylic acid
CID 65293465
1-[5-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-yl]ethanone
CID 23005288
cyclopropyl-[5-(2-methoxyethyl)-1-benzofuran-2-yl]methanone
CID 65427667

Frequently Asked Questions

What is the IUPAC name of 1-(5-propyl-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(5-propyl-1-benzofuran-2-yl)ethanone (CID 65428226) is 1-(5-propyl-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(5-propyl-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(5-propyl-1-benzofuran-2-yl)ethanone is CCCc1ccc2oc(C(C)=O)cc2c1.
What is the InChIKey of 1-(5-propyl-1-benzofuran-2-yl)ethanone?
The InChIKey is JJAQSAGUPSUARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-3-4-10-5-6-12-11(7-10)8-13(15-12)9(2)14/h5-8H,3-4H2,1-2H3.
What are the key properties of 1-(5-propyl-1-benzofuran-2-yl)ethanone?
1-(5-propyl-1-benzofuran-2-yl)ethanone has a molecular weight of 202.25 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propyl-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 65428226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).