1-(1-benzofuran-3-yl)-2-chloroethanone

C10H7ClO2 — CID 77174807

IUPAC1-(1-benzofuran-3-yl)-2-chloroethanone
SMILESO=C(CCl)c1coc2ccccc12
InChIInChI=1S/C10H7ClO2/c11-5-9(12)8-6-13-10-4-2-1-3-7(8)10/h1-4,6H,5H2
InChIKeyUIAWFTOJRAEGCF-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.85
Rot. Bonds2

About 1-(1-benzofuran-3-yl)-2-chloroethanone

1-(1-benzofuran-3-yl)-2-chloroethanone (PubChem CID 77174807) has the molecular formula C10H7ClO2 and a molecular weight of 194.62 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-chloroethanone.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-chloroethanone
PubChem CID77174807
Molecular FormulaC10H7ClO2
Molecular Weight194.62 g/mol
Exact Mass194.01
IUPAC Name1-(1-benzofuran-3-yl)-2-chloroethanone
SMILESO=C(CCl)c1coc2ccccc12
InChIInChI=1S/C10H7ClO2/c11-5-9(12)8-6-13-10-4-2-1-3-7(8)10/h1-4,6H,5H2
InChIKeyUIAWFTOJRAEGCF-UHFFFAOYSA-N
XLogP2.85
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

CID 89242212
CID 89242212
2-(benzenesulfinyl)-1-(1-benzofuran-3-yl)ethanone
CID 64636092
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1-(1-benzofuran-3-yl)-2-piperazin-1-ylethanone
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1-(1-benzofuran-3-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62025341
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CID 43794594
4-amino-1-(1-benzofuran-3-yl)-3-methylbutan-1-one
CID 116916164
1-(1-benzofuran-3-yl)-2-propan-2-ylsulfonylethanone
CID 64635615
1-(1-benzofuran-3-yl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103039484
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide
CID 115456089
1-(1-benzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799431
tert-butyl 3-(1-benzofuran-3-yl)-3-oxopropanoate
CID 22925275

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-chloroethanone?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-chloroethanone (CID 77174807) is 1-(1-benzofuran-3-yl)-2-chloroethanone.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-chloroethanone?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-chloroethanone is O=C(CCl)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-chloroethanone?
The InChIKey is UIAWFTOJRAEGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO2/c11-5-9(12)8-6-13-10-4-2-1-3-7(8)10/h1-4,6H,5H2.
What are the key properties of 1-(1-benzofuran-3-yl)-2-chloroethanone?
1-(1-benzofuran-3-yl)-2-chloroethanone has a molecular weight of 194.62 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-chloroethanone is sourced from PubChem (CID 77174807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).