1-(1-benzofuran-2-yl)-2-(2-chlorophenoxy)ethanone

C16H11ClO3 — CID 7816108

IUPAC1-(1-benzofuran-2-yl)-2-(2-chlorophenoxy)ethanone
SMILESO=C(COc1ccccc1Cl)c1cc2ccccc2o1
InChIInChI=1S/C16H11ClO3/c17-12-6-2-4-8-15(12)19-10-13(18)16-9-11-5-1-3-7-14(11)20-16/h1-9H,10H2
InChIKeyPWGWPRRJXBHHPV-UHFFFAOYSA-N
MW286.71 g/mol
LogP4.35
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-(2-chlorophenoxy)ethanone

1-(1-benzofuran-2-yl)-2-(2-chlorophenoxy)ethanone (PubChem CID 7816108) has the molecular formula C16H11ClO3 and a molecular weight of 286.71 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(2-chlorophenoxy)ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(2-chlorophenoxy)ethanone
PubChem CID7816108
Molecular FormulaC16H11ClO3
Molecular Weight286.71 g/mol
Exact Mass286.04
IUPAC Name1-(1-benzofuran-2-yl)-2-(2-chlorophenoxy)ethanone
SMILESO=C(COc1ccccc1Cl)c1cc2ccccc2o1
InChIInChI=1S/C16H11ClO3/c17-12-6-2-4-8-15(12)19-10-13(18)16-9-11-5-1-3-7-14(11)20-16/h1-9H,10H2
InChIKeyPWGWPRRJXBHHPV-UHFFFAOYSA-N
XLogP4.35
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-2-(3,5-dichlorophenoxy)ethanone
CID 60623980
1-(1-benzofuran-2-yl)-2-(4-fluorophenoxy)ethanone
CID 43413232
1-(1-benzofuran-2-yl)-2-(5-bromo-2-fluorophenoxy)ethanone
CID 114674144
1-(1-benzofuran-2-yl)-2-(2,3-dichlorophenyl)ethanone
CID 107307868
1-(1-benzofuran-2-yl)-2-ethoxyethanone
CID 43799572
1-(1-benzofuran-2-yl)-2-(3-methylphenoxy)ethanone
CID 43413131
1-(1-benzofuran-2-yl)-2-cyclobutyloxyethanone
CID 62141411
1-(1-benzofuran-2-yl)-2-(3-ethylphenoxy)ethanone
CID 43411796
1-(1-benzofuran-2-yl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 63091479
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7815189
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-(2-chlorophenoxy)ethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(2-chlorophenoxy)ethanone (CID 7816108) is 1-(1-benzofuran-2-yl)-2-(2-chlorophenoxy)ethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(2-chlorophenoxy)ethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(2-chlorophenoxy)ethanone is O=C(COc1ccccc1Cl)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(2-chlorophenoxy)ethanone?
The InChIKey is PWGWPRRJXBHHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO3/c17-12-6-2-4-8-15(12)19-10-13(18)16-9-11-5-1-3-7-14(11)20-16/h1-9H,10H2.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(2-chlorophenoxy)ethanone?
1-(1-benzofuran-2-yl)-2-(2-chlorophenoxy)ethanone has a molecular weight of 286.71 g/mol, XLogP of 4.35, 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-(2-chlorophenoxy)ethanone is sourced from PubChem (CID 7816108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).