1-(2-bromofuran-3-yl)-4-(oxolan-2-yl)butan-1-one

C12H15BrO3 — CID 106856675

IUPAC1-(2-bromofuran-3-yl)-4-(oxolan-2-yl)butan-1-one
SMILESO=C(CCCC1CCCO1)c1ccoc1Br
InChIInChI=1S/C12H15BrO3/c13-12-10(6-8-16-12)11(14)5-1-3-9-4-2-7-15-9/h6,8-9H,1-5,7H2
InChIKeyLAUXBNXQCFIMQG-UHFFFAOYSA-N
MW287.15 g/mol
LogP3.57
Rot. Bonds5

About 1-(2-bromofuran-3-yl)-4-(oxolan-2-yl)butan-1-one

1-(2-bromofuran-3-yl)-4-(oxolan-2-yl)butan-1-one (PubChem CID 106856675) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-4-(oxolan-2-yl)butan-1-one.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-4-(oxolan-2-yl)butan-1-one
PubChem CID106856675
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Name1-(2-bromofuran-3-yl)-4-(oxolan-2-yl)butan-1-one
SMILESO=C(CCCC1CCCO1)c1ccoc1Br
InChIInChI=1S/C12H15BrO3/c13-12-10(6-8-16-12)11(14)5-1-3-9-4-2-7-15-9/h6,8-9H,1-5,7H2
InChIKeyLAUXBNXQCFIMQG-UHFFFAOYSA-N
XLogP3.57
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorofuran-3-yl)-4-(oxolan-2-yl)butan-1-one
CID 106691075
1-(2-aminophenyl)-4-(oxolan-2-yl)butan-1-one
CID 65166956
2-bromo-N,N-bis(oxolan-2-ylmethyl)furan-3-carboxamide
CID 106853558
1-(2,3-difluorophenyl)-4-(oxolan-2-yl)butan-1-one
CID 114976662
1-[5-(aminomethyl)furan-2-yl]-4-(oxolan-2-yl)butan-1-one
CID 116590164
1-chloro-7-(oxolan-2-yl)heptan-4-one
CID 66044442
4-(oxolan-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylbutan-1-one
CID 103124735
1-(3-chloro-4-methylphenyl)-4-(oxolan-2-yl)butan-1-one
CID 114976767
1-(2-bromo-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 114976829
1-(4-amino-3,5-dichlorophenyl)-4-(oxolan-2-yl)butan-1-one
CID 116609950
1-(3-methoxyphenyl)-4-(oxolan-2-yl)butan-1-one
CID 65167309
1-(2-tert-butylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 114976956

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-4-(oxolan-2-yl)butan-1-one?
The IUPAC name of 1-(2-bromofuran-3-yl)-4-(oxolan-2-yl)butan-1-one (CID 106856675) is 1-(2-bromofuran-3-yl)-4-(oxolan-2-yl)butan-1-one.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-4-(oxolan-2-yl)butan-1-one?
The canonical SMILES for 1-(2-bromofuran-3-yl)-4-(oxolan-2-yl)butan-1-one is O=C(CCCC1CCCO1)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-4-(oxolan-2-yl)butan-1-one?
The InChIKey is LAUXBNXQCFIMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO3/c13-12-10(6-8-16-12)11(14)5-1-3-9-4-2-7-15-9/h6,8-9H,1-5,7H2.
What are the key properties of 1-(2-bromofuran-3-yl)-4-(oxolan-2-yl)butan-1-one?
1-(2-bromofuran-3-yl)-4-(oxolan-2-yl)butan-1-one has a molecular weight of 287.15 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-4-(oxolan-2-yl)butan-1-one is sourced from PubChem (CID 106856675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).