[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate

C18H13BrO4 — CID 4239088

IUPAC[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate
SMILESO=C(Cc1ccc(Br)cc1)OCC(=O)c1cc2ccccc2o1
InChIInChI=1S/C18H13BrO4/c19-14-7-5-12(6-8-14)9-18(21)22-11-15(20)17-10-13-3-1-2-4-16(13)23-17/h1-8,10H,9,11H2
InChIKeyFMSLUTNGEYWNLW-UHFFFAOYSA-N
MW373.20 g/mol
LogP4.16
Rot. Bonds5

About [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate

[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate (PubChem CID 4239088) has the molecular formula C18H13BrO4 and a molecular weight of 373.20 g/mol. Its IUPAC name is [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate.

Molecular Properties

Compound Name[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate
PubChem CID4239088
Molecular FormulaC18H13BrO4
Molecular Weight373.20 g/mol
Exact Mass372.00
IUPAC Name[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate
SMILESO=C(Cc1ccc(Br)cc1)OCC(=O)c1cc2ccccc2o1
InChIInChI=1S/C18H13BrO4/c19-14-7-5-12(6-8-14)9-18(21)22-11-15(20)17-10-13-3-1-2-4-16(13)23-17/h1-8,10H,9,11H2
InChIKeyFMSLUTNGEYWNLW-UHFFFAOYSA-N
XLogP4.16
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.20
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 9342634
1-(1-benzofuran-2-yl)-2-(5-bromo-2-fluorophenoxy)ethanone
CID 114674144
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 8891276
1-(1-benzofuran-2-yl)-2-ethoxyethanone
CID 43799572
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2346729
1-(1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenoxy)ethanone
CID 81315367
N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529204
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-phenylbenzoate
CID 23995291
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-methylbenzoate
CID 7972415
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3,4,5-trihydroxybenzoate
CID 23965063
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 7165108
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7815189

Frequently Asked Questions

What is the IUPAC name of [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate?
The IUPAC name of [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate (CID 4239088) is [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate.
What is the SMILES notation for [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate?
The canonical SMILES for [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate is O=C(Cc1ccc(Br)cc1)OCC(=O)c1cc2ccccc2o1.
What is the InChIKey of [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate?
The InChIKey is FMSLUTNGEYWNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrO4/c19-14-7-5-12(6-8-14)9-18(21)22-11-15(20)17-10-13-3-1-2-4-16(13)23-17/h1-8,10H,9,11H2.
What are the key properties of [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate?
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate has a molecular weight of 373.20 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate is sourced from PubChem (CID 4239088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).