(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,5-dimethylfuran-3-yl)methanone

C15H13BrO4 — CID 43463533

IUPAC(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2cc3c(cc2Br)OCCO3)c(C)o1
InChIInChI=1S/C15H13BrO4/c1-8-5-10(9(2)20-8)15(17)11-6-13-14(7-12(11)16)19-4-3-18-13/h5-7H,3-4H2,1-2H3
InChIKeyKQQUOCDZIZYIRV-UHFFFAOYSA-N
MW337.17 g/mol
LogP3.66
Rot. Bonds2

About (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,5-dimethylfuran-3-yl)methanone

(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,5-dimethylfuran-3-yl)methanone (PubChem CID 43463533) has the molecular formula C15H13BrO4 and a molecular weight of 337.17 g/mol. Its IUPAC name is (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,5-dimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,5-dimethylfuran-3-yl)methanone
PubChem CID43463533
Molecular FormulaC15H13BrO4
Molecular Weight337.17 g/mol
Exact Mass336.00
IUPAC Name(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2cc3c(cc2Br)OCCO3)c(C)o1
InChIInChI=1S/C15H13BrO4/c1-8-5-10(9(2)20-8)15(17)11-6-13-14(7-12(11)16)19-4-3-18-13/h5-7H,3-4H2,1-2H3
InChIKeyKQQUOCDZIZYIRV-UHFFFAOYSA-N
XLogP3.66
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-(2,5-dimethylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 62381370
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-chloro-2-methylphenyl)methanone
CID 82871735
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2-fluoro-5-methylphenyl)methanone
CID 62514972
(4-bromothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 115784193
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-bromo-5-methylphenyl)methanone
CID 104850973
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096141
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-methylphenyl)methanone
CID 43340554
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 18114856
(2-bromo-5-methylphenyl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone
CID 81109944
(3-amino-5-bromo-2-methylphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 107874180
ethyl 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-oxoacetate
CID 55017534
(3-amino-2-chlorophenyl)-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanone
CID 115937333

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,5-dimethylfuran-3-yl)methanone?
The IUPAC name of (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,5-dimethylfuran-3-yl)methanone (CID 43463533) is (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,5-dimethylfuran-3-yl)methanone.
What is the SMILES notation for (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,5-dimethylfuran-3-yl)methanone?
The canonical SMILES for (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,5-dimethylfuran-3-yl)methanone is Cc1cc(C(=O)c2cc3c(cc2Br)OCCO3)c(C)o1.
What is the InChIKey of (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,5-dimethylfuran-3-yl)methanone?
The InChIKey is KQQUOCDZIZYIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO4/c1-8-5-10(9(2)20-8)15(17)11-6-13-14(7-12(11)16)19-4-3-18-13/h5-7H,3-4H2,1-2H3.
What are the key properties of (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,5-dimethylfuran-3-yl)methanone?
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,5-dimethylfuran-3-yl)methanone has a molecular weight of 337.17 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,5-dimethylfuran-3-yl)methanone is sourced from PubChem (CID 43463533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).