1-(1-benzofuran-2-yl)-2-(3,5-dichlorophenoxy)ethanone

C16H10Cl2O3 — CID 60623980

IUPAC1-(1-benzofuran-2-yl)-2-(3,5-dichlorophenoxy)ethanone
SMILESO=C(COc1cc(Cl)cc(Cl)c1)c1cc2ccccc2o1
InChIInChI=1S/C16H10Cl2O3/c17-11-6-12(18)8-13(7-11)20-9-14(19)16-5-10-3-1-2-4-15(10)21-16/h1-8H,9H2
InChIKeyPVEDTUQIWSRGQD-UHFFFAOYSA-N
MW321.16 g/mol
LogP5.00
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-(3,5-dichlorophenoxy)ethanone

1-(1-benzofuran-2-yl)-2-(3,5-dichlorophenoxy)ethanone (PubChem CID 60623980) has the molecular formula C16H10Cl2O3 and a molecular weight of 321.16 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(3,5-dichlorophenoxy)ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(3,5-dichlorophenoxy)ethanone
PubChem CID60623980
Molecular FormulaC16H10Cl2O3
Molecular Weight321.16 g/mol
Exact Mass320.00
IUPAC Name1-(1-benzofuran-2-yl)-2-(3,5-dichlorophenoxy)ethanone
SMILESO=C(COc1cc(Cl)cc(Cl)c1)c1cc2ccccc2o1
InChIInChI=1S/C16H10Cl2O3/c17-11-6-12(18)8-13(7-11)20-9-14(19)16-5-10-3-1-2-4-15(10)21-16/h1-8H,9H2
InChIKeyPVEDTUQIWSRGQD-UHFFFAOYSA-N
XLogP5.00
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.16
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-2-(4-fluorophenoxy)ethanone
CID 43413232
1-(1-benzofuran-2-yl)-2-(2-chlorophenoxy)ethanone
CID 7816108
1-(1-benzofuran-2-yl)-2-(3-methylphenoxy)ethanone
CID 43413131
1-(1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenoxy)ethanone
CID 81315367
1-(1-benzofuran-2-yl)-2-(3-ethylphenoxy)ethanone
CID 43411796
1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenoxy)ethanone
CID 115573243
1-(1-benzofuran-2-yl)-2-ethoxyethanone
CID 43799572
1-(1-benzofuran-2-yl)-2-(5-bromo-2-fluorophenoxy)ethanone
CID 114674144
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2346729
1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)ethanone
CID 55083649
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
1-(1-benzofuran-2-yl)-2-(2-phenylethoxy)ethanone
CID 43800797

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(3,5-dichlorophenoxy)ethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(3,5-dichlorophenoxy)ethanone (CID 60623980) is 1-(1-benzofuran-2-yl)-2-(3,5-dichlorophenoxy)ethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(3,5-dichlorophenoxy)ethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(3,5-dichlorophenoxy)ethanone is O=C(COc1cc(Cl)cc(Cl)c1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(3,5-dichlorophenoxy)ethanone?
The InChIKey is PVEDTUQIWSRGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2O3/c17-11-6-12(18)8-13(7-11)20-9-14(19)16-5-10-3-1-2-4-15(10)21-16/h1-8H,9H2.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(3,5-dichlorophenoxy)ethanone?
1-(1-benzofuran-2-yl)-2-(3,5-dichlorophenoxy)ethanone has a molecular weight of 321.16 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(3,5-dichlorophenoxy)ethanone is sourced from PubChem (CID 60623980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).