1-(1-benzofuran-3-yl)-2-(4-chloro-3-fluorophenoxy)ethanone

C16H10ClFO3 — CID 82718215

IUPAC1-(1-benzofuran-3-yl)-2-(4-chloro-3-fluorophenoxy)ethanone
SMILESO=C(COc1ccc(Cl)c(F)c1)c1coc2ccccc12
InChIInChI=1S/C16H10ClFO3/c17-13-6-5-10(7-14(13)18)20-9-15(19)12-8-21-16-4-2-1-3-11(12)16/h1-8H,9H2
InChIKeyURWNXOUGXSVLEQ-UHFFFAOYSA-N
MW304.70 g/mol
LogP4.49
Rot. Bonds4

About 1-(1-benzofuran-3-yl)-2-(4-chloro-3-fluorophenoxy)ethanone

1-(1-benzofuran-3-yl)-2-(4-chloro-3-fluorophenoxy)ethanone (PubChem CID 82718215) has the molecular formula C16H10ClFO3 and a molecular weight of 304.70 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-(4-chloro-3-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-(4-chloro-3-fluorophenoxy)ethanone
PubChem CID82718215
Molecular FormulaC16H10ClFO3
Molecular Weight304.70 g/mol
Exact Mass304.03
IUPAC Name1-(1-benzofuran-3-yl)-2-(4-chloro-3-fluorophenoxy)ethanone
SMILESO=C(COc1ccc(Cl)c(F)c1)c1coc2ccccc12
InChIInChI=1S/C16H10ClFO3/c17-13-6-5-10(7-14(13)18)20-9-15(19)12-8-21-16-4-2-1-3-11(12)16/h1-8H,9H2
InChIKeyURWNXOUGXSVLEQ-UHFFFAOYSA-N
XLogP4.49
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.70
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-2-(4-chloro-3-fluorophenoxy)ethanone
CID 82716737
1-(1-benzofuran-3-yl)-2-(2-iodophenoxy)ethanone
CID 62032360
1-(1-benzofuran-3-yl)-2-chloroethanone
CID 77174807
1-(4-chloro-3-fluorophenoxy)-3-phenylpropan-2-one
CID 82716660
2-(3-chloro-4-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60624522
CID 89242212
CID 89242212
1-(1-benzofuran-3-yl)-2-(4-chlorophenyl)sulfanylethanone
CID 43802131
2-(3,4-dichlorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60624448
1-(1-benzofuran-3-yl)-2-(2-fluorophenyl)sulfinylethanone
CID 64637839
2-(4-chlorophenoxy)-1-(2-hydroxyphenyl)ethanone
CID 71616835
2-(benzenesulfinyl)-1-(1-benzofuran-3-yl)ethanone
CID 64636092
1-(2,5-dichlorophenyl)-2-(4-ethoxyphenoxy)ethanone
CID 43411639

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-(4-chloro-3-fluorophenoxy)ethanone?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-(4-chloro-3-fluorophenoxy)ethanone (CID 82718215) is 1-(1-benzofuran-3-yl)-2-(4-chloro-3-fluorophenoxy)ethanone.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-(4-chloro-3-fluorophenoxy)ethanone?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-(4-chloro-3-fluorophenoxy)ethanone is O=C(COc1ccc(Cl)c(F)c1)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-(4-chloro-3-fluorophenoxy)ethanone?
The InChIKey is URWNXOUGXSVLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFO3/c17-13-6-5-10(7-14(13)18)20-9-15(19)12-8-21-16-4-2-1-3-11(12)16/h1-8H,9H2.
What are the key properties of 1-(1-benzofuran-3-yl)-2-(4-chloro-3-fluorophenoxy)ethanone?
1-(1-benzofuran-3-yl)-2-(4-chloro-3-fluorophenoxy)ethanone has a molecular weight of 304.70 g/mol, XLogP of 4.49, 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-chloro-3-fluorophenoxy)ethanone is sourced from PubChem (CID 82718215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).