1-(1-benzofuran-3-yl)-2-(4-chlorophenyl)sulfanylethanone

C16H11ClO2S — CID 43802131

IUPAC1-(1-benzofuran-3-yl)-2-(4-chlorophenyl)sulfanylethanone
SMILESO=C(CSc1ccc(Cl)cc1)c1coc2ccccc12
InChIInChI=1S/C16H11ClO2S/c17-11-5-7-12(8-6-11)20-10-15(18)14-9-19-16-4-2-1-3-13(14)16/h1-9H,10H2
InChIKeyARXZUUSTNVTERN-UHFFFAOYSA-N
MW302.78 g/mol
LogP5.06
Rot. Bonds4

About 1-(1-benzofuran-3-yl)-2-(4-chlorophenyl)sulfanylethanone

1-(1-benzofuran-3-yl)-2-(4-chlorophenyl)sulfanylethanone (PubChem CID 43802131) has the molecular formula C16H11ClO2S and a molecular weight of 302.78 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-(4-chlorophenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-(4-chlorophenyl)sulfanylethanone
PubChem CID43802131
Molecular FormulaC16H11ClO2S
Molecular Weight302.78 g/mol
Exact Mass302.02
IUPAC Name1-(1-benzofuran-3-yl)-2-(4-chlorophenyl)sulfanylethanone
SMILESO=C(CSc1ccc(Cl)cc1)c1coc2ccccc12
InChIInChI=1S/C16H11ClO2S/c17-11-5-7-12(8-6-11)20-10-15(18)14-9-19-16-4-2-1-3-13(14)16/h1-9H,10H2
InChIKeyARXZUUSTNVTERN-UHFFFAOYSA-N
XLogP5.06
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.78
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[1-benzofuran-3-yl-(4-chlorophenyl)methylidene]cyclobutane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-(4-chlorophenyl)sulfanylethanone?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-(4-chlorophenyl)sulfanylethanone (CID 43802131) is 1-(1-benzofuran-3-yl)-2-(4-chlorophenyl)sulfanylethanone.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-(4-chlorophenyl)sulfanylethanone?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-(4-chlorophenyl)sulfanylethanone is O=C(CSc1ccc(Cl)cc1)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-(4-chlorophenyl)sulfanylethanone?
The InChIKey is ARXZUUSTNVTERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO2S/c17-11-5-7-12(8-6-11)20-10-15(18)14-9-19-16-4-2-1-3-13(14)16/h1-9H,10H2.
What are the key properties of 1-(1-benzofuran-3-yl)-2-(4-chlorophenyl)sulfanylethanone?
1-(1-benzofuran-3-yl)-2-(4-chlorophenyl)sulfanylethanone has a molecular weight of 302.78 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-(4-chlorophenyl)sulfanylethanone is sourced from PubChem (CID 43802131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).