1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)ethanone

C16H11ClO2 — CID 55083649

IUPAC1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1)c1cc2ccccc2o1
InChIInChI=1S/C16H11ClO2/c17-13-6-3-4-11(8-13)9-14(18)16-10-12-5-1-2-7-15(12)19-16/h1-8,10H,9H2
InChIKeyCNVJVPLWVNYTNM-UHFFFAOYSA-N
MW270.72 g/mol
LogP4.51
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)ethanone

1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)ethanone (PubChem CID 55083649) has the molecular formula C16H11ClO2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)ethanone
PubChem CID55083649
Molecular FormulaC16H11ClO2
Molecular Weight270.72 g/mol
Exact Mass270.04
IUPAC Name1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1)c1cc2ccccc2o1
InChIInChI=1S/C16H11ClO2/c17-13-6-3-4-11(8-13)9-14(18)16-10-12-5-1-2-7-15(12)19-16/h1-8,10H,9H2
InChIKeyCNVJVPLWVNYTNM-UHFFFAOYSA-N
XLogP4.51
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-2-yl)-2-(2,3-dichlorophenyl)ethanone
CID 107307868
1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)sulfanylethanone
CID 62646826
1-(1-benzofuran-2-yl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 63091479
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193609
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
1-(1-benzofuran-2-yl)-2-(3,5-dichlorophenoxy)ethanone
CID 60623980
[2-(3-chloroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 16503047
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2346729
1-(1-benzofuran-2-yl)-3,3-dimethylbutan-1-one
CID 114725277
1-(1-benzofuran-2-yl)-2-ethylsulfinylethanone
CID 64639066
1-(1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanone
CID 114725771
1-(1-benzofuran-2-yl)-2-(2-chlorophenoxy)ethanone
CID 7816108

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)ethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)ethanone (CID 55083649) is 1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)ethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)ethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)ethanone is O=C(Cc1cccc(Cl)c1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)ethanone?
The InChIKey is CNVJVPLWVNYTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO2/c17-13-6-3-4-11(8-13)9-14(18)16-10-12-5-1-2-7-15(12)19-16/h1-8,10H,9H2.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)ethanone?
1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)ethanone has a molecular weight of 270.72 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)ethanone is sourced from PubChem (CID 55083649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).