(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxolan-3-yl)methanone

C13H13BrO3 — CID 104541332

IUPAC(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxolan-3-yl)methanone
SMILESO=C(c1cc(Br)cc2c1OCC2)C1CCOC1
InChIInChI=1S/C13H13BrO3/c14-10-5-8-2-4-17-13(8)11(6-10)12(15)9-1-3-16-7-9/h5-6,9H,1-4,7H2
InChIKeyDFZFFICSRXUICR-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.60
Rot. Bonds2

About (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxolan-3-yl)methanone

(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxolan-3-yl)methanone (PubChem CID 104541332) has the molecular formula C13H13BrO3 and a molecular weight of 297.15 g/mol. Its IUPAC name is (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxolan-3-yl)methanone
PubChem CID104541332
Molecular FormulaC13H13BrO3
Molecular Weight297.15 g/mol
Exact Mass296.00
IUPAC Name(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxolan-3-yl)methanone
SMILESO=C(c1cc(Br)cc2c1OCC2)C1CCOC1
InChIInChI=1S/C13H13BrO3/c14-10-5-8-2-4-17-13(8)11(6-10)12(15)9-1-3-16-7-9/h5-6,9H,1-4,7H2
InChIKeyDFZFFICSRXUICR-UHFFFAOYSA-N
XLogP2.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106892614
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(oxolan-3-yl)methanone
CID 61272983
2-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 104541247
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103309448
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-cycloheptylmethanone
CID 113425372
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-(oxolan-2-yl)propan-1-one
CID 104541335
(3-amino-5-bromophenyl)-(oxolan-3-yl)methanone
CID 116597079
(4-bromothiophen-3-yl)-(oxolan-3-yl)methanone
CID 79596493
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxan-4-yl)methanol
CID 113425147
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-1-one
CID 104541228
(3-amino-5-bromo-2-methylphenyl)-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methanone
CID 107874214
5-bromo-7-[(4-bromooxan-3-yl)methyl]-2,3-dihydro-1-benzofuran
CID 106471683

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxolan-3-yl)methanone?
The IUPAC name of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxolan-3-yl)methanone (CID 104541332) is (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxolan-3-yl)methanone?
The canonical SMILES for (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxolan-3-yl)methanone is O=C(c1cc(Br)cc2c1OCC2)C1CCOC1.
What is the InChIKey of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxolan-3-yl)methanone?
The InChIKey is DFZFFICSRXUICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO3/c14-10-5-8-2-4-17-13(8)11(6-10)12(15)9-1-3-16-7-9/h5-6,9H,1-4,7H2.
What are the key properties of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxolan-3-yl)methanone?
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxolan-3-yl)methanone has a molecular weight of 297.15 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxolan-3-yl)methanone is sourced from PubChem (CID 104541332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).