5-(3-bromoprop-1-enyl)-2-benzofuran-1,3-dione

C11H7BrO3 — CID 169476152

IUPAC5-(3-bromoprop-1-enyl)-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2cc(C=CCBr)ccc21
InChIInChI=1S/C11H7BrO3/c12-5-1-2-7-3-4-8-9(6-7)11(14)15-10(8)13/h1-4,6H,5H2
InChIKeyLRXOLLOCMSLKQL-UHFFFAOYSA-N
MW267.08 g/mol
LogP2.41
Rot. Bonds2

About 5-(3-bromoprop-1-enyl)-2-benzofuran-1,3-dione

5-(3-bromoprop-1-enyl)-2-benzofuran-1,3-dione (PubChem CID 169476152) has the molecular formula C11H7BrO3 and a molecular weight of 267.08 g/mol. Its IUPAC name is 5-(3-bromoprop-1-enyl)-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5-(3-bromoprop-1-enyl)-2-benzofuran-1,3-dione
PubChem CID169476152
Molecular FormulaC11H7BrO3
Molecular Weight267.08 g/mol
Exact Mass265.96
IUPAC Name5-(3-bromoprop-1-enyl)-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2cc(C=CCBr)ccc21
InChIInChI=1S/C11H7BrO3/c12-5-1-2-7-3-4-8-9(6-7)11(14)15-10(8)13/h1-4,6H,5H2
InChIKeyLRXOLLOCMSLKQL-UHFFFAOYSA-N
XLogP2.41
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(3-bromoprop-1-enyl)phenanthrene-9,10-dione
CID 169476439
5-dodec-1-enyl-2-benzofuran-1,3-dione
CID 173109553
6-(3-bromoprop-1-enyl)-2,3-dihydrochromen-4-one
CID 169476137
methyl 3-(1,3-dioxo-2-benzofuran-5-yl)prop-2-enoate
CID 169479515
3-(3-bromoprop-1-enyl)benzaldehyde
CID 169475107
4-(3-bromoprop-1-enyl)-1,2-difluorobenzene
CID 4997890
4-(3-bromoprop-1-enyl)-1H-pyridin-2-one
CID 169475021
1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene
CID 15662681
3-(3-bromoprop-1-enyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 169475031
5-[4-[4-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]phenyl]phenyl]-2-benzofuran-1,3-dione
CID 102372125
1-bromo-4-[(E)-3-bromoprop-1-enyl]-2-fluorobenzene
CID 81440266
5-fluoro-2-benzofuran-1,3-dione
CID 159746884

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromoprop-1-enyl)-2-benzofuran-1,3-dione?
The IUPAC name of 5-(3-bromoprop-1-enyl)-2-benzofuran-1,3-dione (CID 169476152) is 5-(3-bromoprop-1-enyl)-2-benzofuran-1,3-dione.
What is the SMILES notation for 5-(3-bromoprop-1-enyl)-2-benzofuran-1,3-dione?
The canonical SMILES for 5-(3-bromoprop-1-enyl)-2-benzofuran-1,3-dione is O=C1OC(=O)c2cc(C=CCBr)ccc21.
What is the InChIKey of 5-(3-bromoprop-1-enyl)-2-benzofuran-1,3-dione?
The InChIKey is LRXOLLOCMSLKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrO3/c12-5-1-2-7-3-4-8-9(6-7)11(14)15-10(8)13/h1-4,6H,5H2.
What are the key properties of 5-(3-bromoprop-1-enyl)-2-benzofuran-1,3-dione?
5-(3-bromoprop-1-enyl)-2-benzofuran-1,3-dione has a molecular weight of 267.08 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromoprop-1-enyl)-2-benzofuran-1,3-dione is sourced from PubChem (CID 169476152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).