1,3-benzodioxol-5-yl-(5-bromo-1-benzofuran-2-yl)methanone

C16H9BrO4 — CID 28888936

IUPAC1,3-benzodioxol-5-yl-(5-bromo-1-benzofuran-2-yl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C16H9BrO4/c17-11-2-4-12-10(5-11)7-15(21-12)16(18)9-1-3-13-14(6-9)20-8-19-13/h1-7H,8H2
InChIKeyXOWDWEDDNUUOQB-UHFFFAOYSA-N
MW345.15 g/mol
LogP4.16
Rot. Bonds2

About 1,3-benzodioxol-5-yl-(5-bromo-1-benzofuran-2-yl)methanone

1,3-benzodioxol-5-yl-(5-bromo-1-benzofuran-2-yl)methanone (PubChem CID 28888936) has the molecular formula C16H9BrO4 and a molecular weight of 345.15 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-(5-bromo-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-(5-bromo-1-benzofuran-2-yl)methanone
PubChem CID28888936
Molecular FormulaC16H9BrO4
Molecular Weight345.15 g/mol
Exact Mass343.97
IUPAC Name1,3-benzodioxol-5-yl-(5-bromo-1-benzofuran-2-yl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C16H9BrO4/c17-11-2-4-12-10(5-11)7-15(21-12)16(18)9-1-3-13-14(6-9)20-8-19-13/h1-7H,8H2
InChIKeyXOWDWEDDNUUOQB-UHFFFAOYSA-N
XLogP4.16
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.15
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

furo[2,3-f][1,3]benzodioxol-6-yl-(4-methylphenyl)methanone
CID 60587967
SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE
CID 126957561
(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114724999
(2-amino-5-bromophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 82696905
1-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyethanone
CID 8022199
(2-amino-4-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 116591847
(2,5-dibromophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 114368459
(5-bromo-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 29076010
(E)-3-[2-(4-bromobenzoyl)-1-benzofuran-5-yl]-2-methylprop-2-enoic acid
CID 170873362
(4-bromo-2-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 43629621
furo[2,3-f][1,3]benzodioxol-6-yl(1H-pyrrol-2-yl)methanone
CID 47411580
(2,5-dimethylphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone
CID 60587952

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-(5-bromo-1-benzofuran-2-yl)methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-(5-bromo-1-benzofuran-2-yl)methanone (CID 28888936) is 1,3-benzodioxol-5-yl-(5-bromo-1-benzofuran-2-yl)methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-(5-bromo-1-benzofuran-2-yl)methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-(5-bromo-1-benzofuran-2-yl)methanone is O=C(c1ccc2c(c1)OCO2)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 1,3-benzodioxol-5-yl-(5-bromo-1-benzofuran-2-yl)methanone?
The InChIKey is XOWDWEDDNUUOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrO4/c17-11-2-4-12-10(5-11)7-15(21-12)16(18)9-1-3-13-14(6-9)20-8-19-13/h1-7H,8H2.
What are the key properties of 1,3-benzodioxol-5-yl-(5-bromo-1-benzofuran-2-yl)methanone?
1,3-benzodioxol-5-yl-(5-bromo-1-benzofuran-2-yl)methanone has a molecular weight of 345.15 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-(5-bromo-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 28888936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).