1-(7-ethyl-1-benzofuran-2-yl)propan-1-one

C13H14O2 — CID 65427670

IUPAC1-(7-ethyl-1-benzofuran-2-yl)propan-1-one
SMILESCCC(=O)c1cc2cccc(CC)c2o1
InChIInChI=1S/C13H14O2/c1-3-9-6-5-7-10-8-12(11(14)4-2)15-13(9)10/h5-8H,3-4H2,1-2H3
InChIKeyMIFXGMBRFNMMNV-UHFFFAOYSA-N
MW202.25 g/mol
LogP3.59
Rot. Bonds3

About 1-(7-ethyl-1-benzofuran-2-yl)propan-1-one

1-(7-ethyl-1-benzofuran-2-yl)propan-1-one (PubChem CID 65427670) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(7-ethyl-1-benzofuran-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(7-ethyl-1-benzofuran-2-yl)propan-1-one
PubChem CID65427670
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name1-(7-ethyl-1-benzofuran-2-yl)propan-1-one
SMILESCCC(=O)c1cc2cccc(CC)c2o1
InChIInChI=1S/C13H14O2/c1-3-9-6-5-7-10-8-12(11(14)4-2)15-13(9)10/h5-8H,3-4H2,1-2H3
InChIKeyMIFXGMBRFNMMNV-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

Analyze 1-(7-ethyl-1-benzofuran-2-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(7-ethyl-1-benzofuran-2-yl)butan-1-one
CID 65427841
1-(7-methoxy-1-benzofuran-2-yl)propan-1-one
CID 65427049
2-(2-fluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114725093
2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114724990
1-(7-propan-2-yl-1-benzofuran-2-yl)butan-1-one
CID 65427273
(1S)-2-chloro-1-(7-ethyl-1-benzofuran-2-yl)ethanol
CID 11299077
N-(2-ethylphenyl)-7-methyl-1-benzofuran-2-carboxamide
CID 48981916
tert-butyl 2-(2-acetyl-1-benzofuran-7-yl)acetate
CID 10849916
2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 114725353
1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanone
CID 114725200
3-ethoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-one
CID 105132052
7-(2-aminopropyl)-N,N-dimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 140503736

Frequently Asked Questions

What is the IUPAC name of 1-(7-ethyl-1-benzofuran-2-yl)propan-1-one?
The IUPAC name of 1-(7-ethyl-1-benzofuran-2-yl)propan-1-one (CID 65427670) is 1-(7-ethyl-1-benzofuran-2-yl)propan-1-one.
What is the SMILES notation for 1-(7-ethyl-1-benzofuran-2-yl)propan-1-one?
The canonical SMILES for 1-(7-ethyl-1-benzofuran-2-yl)propan-1-one is CCC(=O)c1cc2cccc(CC)c2o1.
What is the InChIKey of 1-(7-ethyl-1-benzofuran-2-yl)propan-1-one?
The InChIKey is MIFXGMBRFNMMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-3-9-6-5-7-10-8-12(11(14)4-2)15-13(9)10/h5-8H,3-4H2,1-2H3.
What are the key properties of 1-(7-ethyl-1-benzofuran-2-yl)propan-1-one?
1-(7-ethyl-1-benzofuran-2-yl)propan-1-one 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-(7-ethyl-1-benzofuran-2-yl)propan-1-one is sourced from PubChem (CID 65427670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).