1-(5-chloro-1-benzofuran-2-yl)propan-1-one

C11H9ClO2 — CID 65425941

IUPAC1-(5-chloro-1-benzofuran-2-yl)propan-1-one
SMILESCCC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C11H9ClO2/c1-2-9(13)11-6-7-5-8(12)3-4-10(7)14-11/h3-6H,2H2,1H3
InChIKeyZEPVIVYDQDSCJC-UHFFFAOYSA-N
MW208.64 g/mol
LogP3.68
Rot. Bonds2

About 1-(5-chloro-1-benzofuran-2-yl)propan-1-one

1-(5-chloro-1-benzofuran-2-yl)propan-1-one (PubChem CID 65425941) has the molecular formula C11H9ClO2 and a molecular weight of 208.64 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)propan-1-one
PubChem CID65425941
Molecular FormulaC11H9ClO2
Molecular Weight208.64 g/mol
Exact Mass208.03
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)propan-1-one
SMILESCCC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C11H9ClO2/c1-2-9(13)11-6-7-5-8(12)3-4-10(7)14-11/h3-6H,2H2,1H3
InChIKeyZEPVIVYDQDSCJC-UHFFFAOYSA-N
XLogP3.68
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.64
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(5-chloro-1-benzofuran-2-yl)hexan-1-one
CID 114737318
4-amino-1-(5-chloro-1-benzofuran-2-yl)butan-1-one
CID 114736251
1-(5-chloro-1-benzofuran-2-yl)-3-propoxypropan-1-one
CID 105132223
4-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114737094
1-(5-chloro-1-benzofuran-2-yl)-3-(ethylamino)butan-1-one
CID 114736502
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
5-chloro-1-benzofuran-2-carboxylate
CID 6956015
1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenoxy)ethanone
CID 115573243
1-(5-chloro-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanone
CID 115573247
4-(2-aminoethyl)-1-(5-chloro-1-benzofuran-2-yl)heptan-1-one
CID 114736824
1-[4-(5-chloro-1-benzofuran-2-yl)phenyl]propan-1-one
CID 114732079
2-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylpentan-1-one
CID 114736238

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)propan-1-one?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)propan-1-one (CID 65425941) is 1-(5-chloro-1-benzofuran-2-yl)propan-1-one.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)propan-1-one?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)propan-1-one is CCC(=O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)propan-1-one?
The InChIKey is ZEPVIVYDQDSCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO2/c1-2-9(13)11-6-7-5-8(12)3-4-10(7)14-11/h3-6H,2H2,1H3.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)propan-1-one?
1-(5-chloro-1-benzofuran-2-yl)propan-1-one has a molecular weight of 208.64 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-benzofuran-2-yl)propan-1-one is sourced from PubChem (CID 65425941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).