2-(5-bromofuran-3-yl)-1-(1,4-dioxan-2-yl)ethanone

C10H11BrO4 — CID 131107631

IUPAC2-(5-bromofuran-3-yl)-1-(1,4-dioxan-2-yl)ethanone
SMILESO=C(Cc1coc(Br)c1)C1COCCO1
InChIInChI=1S/C10H11BrO4/c11-10-4-7(5-15-10)3-8(12)9-6-13-1-2-14-9/h4-5,9H,1-3,6H2
InChIKeyQLKHAVCFZPBYOR-UHFFFAOYSA-N
MW275.10 g/mol
LogP1.57
Rot. Bonds3

About 2-(5-bromofuran-3-yl)-1-(1,4-dioxan-2-yl)ethanone

2-(5-bromofuran-3-yl)-1-(1,4-dioxan-2-yl)ethanone (PubChem CID 131107631) has the molecular formula C10H11BrO4 and a molecular weight of 275.10 g/mol. Its IUPAC name is 2-(5-bromofuran-3-yl)-1-(1,4-dioxan-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-bromofuran-3-yl)-1-(1,4-dioxan-2-yl)ethanone
PubChem CID131107631
Molecular FormulaC10H11BrO4
Molecular Weight275.10 g/mol
Exact Mass273.98
IUPAC Name2-(5-bromofuran-3-yl)-1-(1,4-dioxan-2-yl)ethanone
SMILESO=C(Cc1coc(Br)c1)C1COCCO1
InChIInChI=1S/C10H11BrO4/c11-10-4-7(5-15-10)3-8(12)9-6-13-1-2-14-9/h4-5,9H,1-3,6H2
InChIKeyQLKHAVCFZPBYOR-UHFFFAOYSA-N
XLogP1.57
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromofuran-3-yl)-1-(oxan-2-yl)ethanone
CID 131019765
2-(3-bromophenyl)-1-(1,4-dioxan-2-yl)ethanone
CID 62803295
1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanone
CID 62805450
2-(3,4-dimethoxyphenyl)-1-(1,4-dioxan-2-yl)ethanone
CID 62805451
2-(5-bromo-2-pyridinyl)-1-(1,4-dioxan-2-yl)ethanone
CID 115801104
1-(1,4-dioxan-2-yl)-2-thiophen-2-ylethanone
CID 62805632
3-[(5-bromofuran-3-yl)methyl]oxan-4-one
CID 130718317
N-[(5-bromofuran-3-yl)methyl]oxolan-3-amine
CID 130962059
1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanone
CID 65351380
1-(1,4-dioxan-2-yl)tridecan-1-one
CID 65350783
1-(1,4-dioxan-2-yl)-2-ethoxyethanone
CID 115278581
(2-bromo-4,5-diethoxyphenyl)-(1,4-dioxan-2-yl)methanone
CID 62799898

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-3-yl)-1-(1,4-dioxan-2-yl)ethanone?
The IUPAC name of 2-(5-bromofuran-3-yl)-1-(1,4-dioxan-2-yl)ethanone (CID 131107631) is 2-(5-bromofuran-3-yl)-1-(1,4-dioxan-2-yl)ethanone.
What is the SMILES notation for 2-(5-bromofuran-3-yl)-1-(1,4-dioxan-2-yl)ethanone?
The canonical SMILES for 2-(5-bromofuran-3-yl)-1-(1,4-dioxan-2-yl)ethanone is O=C(Cc1coc(Br)c1)C1COCCO1.
What is the InChIKey of 2-(5-bromofuran-3-yl)-1-(1,4-dioxan-2-yl)ethanone?
The InChIKey is QLKHAVCFZPBYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO4/c11-10-4-7(5-15-10)3-8(12)9-6-13-1-2-14-9/h4-5,9H,1-3,6H2.
What are the key properties of 2-(5-bromofuran-3-yl)-1-(1,4-dioxan-2-yl)ethanone?
2-(5-bromofuran-3-yl)-1-(1,4-dioxan-2-yl)ethanone has a molecular weight of 275.10 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-3-yl)-1-(1,4-dioxan-2-yl)ethanone is sourced from PubChem (CID 131107631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).